{ "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" [ [ 2.836172 2.264881 3.605889 ] [ 1.711544 3.356754 1.507539 ] [ 2.817956 4.908146 3.003841 ] [ 0.8092812 3.284881 3.852119 ] [ 4.796821 1.314646 2.655969 ] [ 4.297416 3.615744 1.848977 ] [ 4.570903 3.768738 4.135906 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.836172e-10 2.264881e-10 3.605889e-10 ] [ 1.711544e-10 3.356754e-10 1.507539e-10 ] [ 2.817956e-10 4.908146e-10 3.003841e-10 ] [ 8.092812000000001e-11 3.284881e-10 3.852119e-10 ] [ 4.796821e-10 1.314646e-10 2.655969e-10 ] [ 4.297416000000001e-10 3.615744e-10 1.848977e-10 ] [ 4.570903000000001e-10 3.768738e-10 4.135906000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4099306 -0.2904048 -0.3684318 ] [ 0.9458476 -0.1267259 1.4185162 ] [ -1.4080807 0.1431888 0.5885998 ] [ 0.3889619 0.8233734 -0.8487618 ] [ -0.3788865 1.032187 -0.1380432 ] [ 0.1377359 -1.3123891 -1.1454087 ] [ -0.0955089 -0.2692295 0.4935295 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.567812234705164e-10 -4.652797811280999e-10 -5.902928163192613e-10 ] [ 1.51541491155979e-09 -2.030372742298387e-10 2.272713491866057e-09 ] [ -2.255993977739699e-09 2.294137477204071e-10 9.43040838567556e-10 ] [ 6.231856625619476e-10 1.319189611668607e-09 -1.359866312588125e-09 ] [ -6.070430922367392e-10 1.65374587969369e-09 -2.211695877004186e-10 ] [ 2.206772388248467e-10 -2.102679133412753e-09 -1.835147040400921e-09 ] [ -1.530221266583251e-10 -4.313532105296736e-10 7.907214265751137e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -7.913907085572458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.267947691168766e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5534708 1.5837415 3.8470423 ] [ 2.2768617 2.8873997 1.8204304 ] [ 2.7100653 5.1064053 2.6988175 ] [ 1.5399839 3.6331011 4.0076793 ] [ 4.3498806 1.7904524 2.4388492 ] [ 4.4466669 3.967584 1.7292123 ] [ 3.963164 3.5451059 4.0682089 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5534708e-10 1.5837415e-10 3.8470423e-10 ] [ 2.2768617e-10 2.8873997e-10 1.8204304e-10 ] [ 2.7100653e-10 5.1064053e-10 2.6988175e-10 ] [ 1.5399839e-10 3.6331011e-10 4.0076793e-10 ] [ 4.3498806e-10 1.7904524e-10 2.4388492e-10 ] [ 4.446666900000001e-10 3.967584e-10 1.7292123e-10 ] [ 3.963164e-10 3.5451059e-10 4.0682089e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.14e-05 -4.61e-05 4.7e-06 ] [ 1.95e-05 3.2e-05 -6.6e-06 ] [ -1.58e-05 -2.27e-05 -1.84e-05 ] [ 6.1e-06 1.29e-05 2.81e-05 ] [ 3.59e-05 2.24e-05 -3.14e-05 ] [ -8.3e-06 -4.03e-05 5.2e-06 ] [ 1.4e-05 4.17e-05 1.83e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.235187830912e-14 -7.386034221888001e-14 7.53023011776e-15 ] [ 3.12424441056e-14 5.12696518656e-14 -1.057436569728e-14 ] [ -2.531439060864e-14 -3.636940929216e-14 -2.948004982272e-14 ] [ 9.77327738688e-15 2.066807840832e-14 4.502116304448e-14 ] [ 5.751814068672e-14 3.588875630592e-14 -5.030834589312e-14 ] [ -1.329806595264e-14 -6.456771781824e-14 8.33131842816e-15 ] [ 2.24304726912e-14 6.681076508736e-14 2.931983216064e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.821491085572458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.573576339869981e-18 } }