{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.91343 2.805447 1.311156 ] [ 2.653002 2.505168 3.277079 ] [ 1.829519 4.618852 2.376516 ] [ 4.982305 1.900488 2.423676 ] [ 4.143762 3.996307 2.985709 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.91343e-10 2.805447e-10 1.311156e-10 ] [ 2.653002e-10 2.505168e-10 3.277079e-10 ] [ 1.829519e-10 4.618852000000001e-10 2.376516e-10 ] [ 4.982305e-10 1.900488e-10 2.423676e-10 ] [ 4.143762e-10 3.996307e-10 2.985709e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -17.5525639 -4.7339292 -114.0264739 ] [ -4.1932167 -121.1432759 113.2935005 ] [ -22.4812851 42.9689512 -39.7564155 ] [ -18.1378291 -42.7001951 -13.5265409 ] [ 62.3648948 125.608449 54.0159299 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.812230751567807e-08 -7.584590688762449e-09 -1.826905506348414e-07 ] [ -6.718273762688127e-09 -1.940929244141041e-07 1.815161977896931e-07 ] [ -3.601898939275939e-08 6.884384903293611e-08 -6.369679944091075e-08 ] [ -2.906000573608591e-08 -6.841325429281872e-08 -2.167190759027499e-08 ] [ 9.99195764072115e-08 2.012469203627491e-07 8.654306003655168e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 67.682681 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.084396091312644e-17 } "relaxed-configuration-positions" { "source-value" [ [ 2.9435788 2.7642874 0.334313 ] [ 2.4523539 2.2169439 4.0902968 ] [ 1.7776625 4.4878362 2.328479 ] [ 4.781694 1.7877167 2.3278844 ] [ 4.5667287 4.5694778 3.2931629 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9435788e-10 2.7642874e-10 3.34313e-11 ] [ 2.4523539e-10 2.2169439e-10 4.0902968e-10 ] [ 1.7776625e-10 4.4878362e-10 2.328479e-10 ] [ 4.781694e-10 1.7877167e-10 2.3278844e-10 ] [ 4.5667287e-10 4.5694778e-10 3.2931629e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.5e-06 -1.18e-05 -2.7e-06 ] [ -5.4e-06 -1.3e-06 -2.6e-06 ] [ 4.3e-06 1.4e-06 4e-06 ] [ -1.3e-06 2.6e-06 -7e-06 ] [ 4e-06 9.2e-06 8.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.4032649312e-15 -1.890568412544e-14 -4.32587687616e-15 ] [ -8.65175375232e-15 -2.08282960704e-15 -4.16565921408e-15 ] [ 6.889359469440001e-15 2.24304726912e-15 6.4087064832e-15 ] [ -2.08282960704e-15 4.16565921408e-15 -1.12152363456e-14 ] [ 6.4087064832e-15 1.474002491136e-14 1.329806595264e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.133456 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.943993953270549e-18 } }