{ "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" [ [ 0.8884438 2.916456 2.400624 ] [ 2.811423 1.824332 1.936915 ] [ 1.907829 2.277214 4.357236 ] [ 1.702277 4.831739 3.243262 ] [ 3.61245 3.93555 1.732923 ] [ 3.530316 5.918227 2.544774 ] [ 3.982422 3.894872 3.827608 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.884438000000001e-11 2.916456e-10 2.400624e-10 ] [ 2.811423e-10 1.824332e-10 1.936915e-10 ] [ 1.907829e-10 2.277214e-10 4.357236e-10 ] [ 1.702277e-10 4.831739e-10 3.243262e-10 ] [ 3.61245e-10 3.93555e-10 1.732923e-10 ] [ 3.530316e-10 5.918227e-10 2.544774e-10 ] [ 3.982422e-10 3.894872e-10 3.827608e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.9161858 -1.4836542 -2.4160714 ] [ 0.8140816 -3.7333532 0.3641618 ] [ 1.2921044 -0.7780517 1.4275034 ] [ -5.3174831 3.1006777 3.4045367 ] [ 3.0453899 -2.3875601 -9.6185735 ] [ 2.3743016 7.5406171 0.0892687 ] [ 2.7077914 -2.2586757 6.7491743 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.876597952268945e-09 -2.377076072591728e-09 -3.870973111263525e-09 ] [ 1.304302506943457e-09 -5.981491214228867e-09 5.834515221484454e-10 ] [ 2.070179461312811e-09 -1.246576243513695e-09 2.28711257359251e-09 ] [ -8.519547104319108e-09 4.967833319575917e-09 5.454669105395583e-09 ] [ 4.87925249900045e-09 -3.82529297297491e-09 -1.541065358714643e-08 ] [ 3.804050514248033e-09 1.20814004240247e-08 1.43024224109209e-10 ] [ 4.338360075083301e-09 -3.618797400509075e-09 1.081336927316421e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -19.222847 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.079839604861542e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9205479 2.8472232 2.0231951 ] [ 3.1797925 1.7213769 2.3619983 ] [ 1.8267494 2.4932938 4.376923 ] [ 1.6010782 4.8927572 3.4466929 ] [ 3.0722615 4.0534434 1.2558408 ] [ 3.7771459 5.9216842 2.7636141 ] [ 4.0575853 3.6686112 3.8150778 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.205479000000001e-11 2.8472232e-10 2.0231951e-10 ] [ 3.1797925e-10 1.7213769e-10 2.3619983e-10 ] [ 1.8267494e-10 2.4932938e-10 4.376923e-10 ] [ 1.6010782e-10 4.892757200000001e-10 3.4466929e-10 ] [ 3.0722615e-10 4.0534434e-10 1.2558408e-10 ] [ 3.7771459e-10 5.9216842e-10 2.7636141e-10 ] [ 4.057585300000001e-10 3.6686112e-10 3.8150778e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.7e-06 -1.11e-05 2.7e-06 ] [ -7e-06 2.2e-06 2.4e-06 ] [ -8.7e-06 -7.7e-06 -1.5e-06 ] [ 7.7e-06 -1.04e-05 -1.6e-06 ] [ 4e-06 4e-06 8.4e-06 ] [ 1.16e-05 2.19e-05 -5.9e-06 ] [ -2e-06 1.1e-06 -4.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.13240673856e-15 -1.778416049088e-14 4.32587687616e-15 ] [ -1.12152363456e-14 3.52478856576e-15 3.84522388992e-15 ] [ -1.393893660096e-14 -1.233675998016e-14 -2.4032649312e-15 ] [ 1.233675998016e-14 -1.666263685632e-14 -2.56348259328e-15 ] [ 6.4087064832e-15 6.4087064832e-15 1.345828361472e-14 ] [ 1.858524880128e-14 3.508766799552e-14 -9.45284206272e-15 ] [ -3.2043532416e-15 1.76239428288e-15 -7.04957713152e-15 ] ] } "relaxed-potential-energy" { "source-value" -24.005399 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.84608890507757e-18 } }