{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.1688 2.788884 1.320769 ] [ 2.532136 2.630615 3.81334 ] [ 3.448306 1.022917 2.319133 ] [ 4.871015 2.854538 3.444822 ] [ 3.148673 5.011898 0.914954 ] [ 4.462028 3.106005 1.382629 ] [ 3.536809 5.003724 3.350012 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1688e-10 2.788884e-10 1.320769e-10 ] [ 2.532136e-10 2.630615e-10 3.813340000000001e-10 ] [ 3.448306e-10 1.022917e-10 2.319133e-10 ] [ 4.871015e-10 2.854538e-10 3.444822e-10 ] [ 3.148673e-10 5.011898e-10 9.149540000000001e-11 ] [ 4.462028e-10 3.106005e-10 1.382629e-10 ] [ 3.536809e-10 5.003724e-10 3.350012e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.0807755 0.5067694 -5.573606 ] [ -7.1960653 -0.5856541 9.1140647 ] [ -0.6400465 -12.0388643 -1.3392746 ] [ 10.6224318 0.23691 12.0624996 ] [ -0.9138322 4.2493822 -2.11712 ] [ 10.221619 2.4912282 -13.5842891 ] [ -1.0133314 5.1402285 1.4377254 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.775335944643343e-08 8.119340848168436e-10 -8.929901226750605e-09 ] [ -1.152936758541014e-08 -9.383213068956654e-10 1.460234138279857e-08 ] [ -1.025467538524867e-09 -1.928838692244376e-08 -2.145754452951272e-09 ] [ 1.701901188600246e-08 3.79571663233728e-10 1.932625484752935e-08 ] [ -1.46412058617423e-09 6.808260813683671e-09 -3.392000167428096e-09 ] [ 1.637683898852508e-08 3.991387579117667e-09 -2.176443040620827e-08 ] [ -1.623535878202533e-09 8.235553928269854e-09 2.303490023010328e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 12.107358 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.939812592725585e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9340225 2.7878586 1.2345914 ] [ 2.4071545 2.6291923 3.9316609 ] [ 3.3840891 0.8438774 2.3134332 ] [ 5.1010691 2.8456473 3.6087573 ] [ 3.1003342 5.0714543 0.9386526 ] [ 4.7550276 3.1608835 1.1983667 ] [ 3.48607 5.0796676 3.3201969 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9340225e-10 2.7878586e-10 1.2345914e-10 ] [ 2.4071545e-10 2.6291923e-10 3.9316609e-10 ] [ 3.3840891e-10 8.438774e-11 2.3134332e-10 ] [ 5.1010691e-10 2.8456473e-10 3.608757300000001e-10 ] [ 3.1003342e-10 5.071454300000001e-10 9.386526e-11 ] [ 4.755027600000001e-10 3.1608835e-10 1.1983667e-10 ] [ 3.48607e-10 5.0796676e-10 3.3201969e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.7984849 0.6103406 0.3953995 ] [ -0.9831513 -0.0035498 -0.8583056 ] [ -1.26923 0.8302033 0.3435889 ] [ 2.5383544 -0.9345193 -0.9042208 ] [ -1.5566485 -0.7105638 1.366714 ] [ 3.5184007 -0.4179616 0.8088611 ] [ -1.4492402 0.6260506 -1.152037 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.279313838841826e-09 9.778734400450446e-10 6.334998347760096e-10 ] [ -1.575182027569127e-09 -5.68740656851584e-12 -1.375157165821717e-09 ] [ -2.033530632417984e-09 1.330132317771009e-09 5.504901027463891e-10 ] [ 4.066892074984811e-09 -1.497264974146382e-09 -1.448721425801073e-09 ] [ -2.494025833503389e-09 -1.138448707946807e-09 2.189717218120052e-09 ] [ 5.637099344146354e-09 -6.696483039121613e-10 1.295938343894571e-09 ] [ -2.321938766363516e-09 1.003043634757813e-09 -1.84576674769657e-09 ] ] } "relaxed-potential-energy" { "source-value" -10.807283 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.731517615696929e-18 } }