{ "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" [ [ 0.3527209 0.4565602 1.167471 ] [ 0.6414148 2.926013 0.4472085 ] [ 0.2560781 2.125953 2.651252 ] [ 2.793307 0.1807352 2.367537 ] [ 2.546309 2.149048 0.8335699 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.527209e-11 4.565602e-11 1.167471e-10 ] [ 6.414148e-11 2.926013000000001e-10 4.472085e-11 ] [ 2.560781e-11 2.125953e-10 2.651252e-10 ] [ 2.793307e-10 1.807352e-11 2.367537e-10 ] [ 2.546309e-10 2.149048e-10 8.335699e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5637984 -4.8384056 -3.7431484 ] [ -11.2113451 5.0225657 -3.3128742 ] [ -3.3432035 4.6679774 6.9284099 ] [ 0.1520158 -0.981039 0.0900727 ] [ 13.8387344 -3.8710985 0.03754 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.033046153244468e-10 -7.751980334267797e-09 -5.997184854664926e-09 ] [ -1.796255500694064e-08 8.047037340971987e-09 -5.307809590891504e-09 ] [ -5.356402486276732e-09 7.47892425670277e-09 1.110053636109927e-08 ] [ 2.435561607522087e-10 -1.571797749893011e-09 1.443123741123322e-10 ] [ 2.217209671714072e-08 -6.20218351351395e-09 6.0145710344832e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -6.8960438 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.104868015237279e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2873388 0.333741 1.3905842 ] [ 0.6485085 2.5279313 0.3865929 ] [ -0.1000323 2.4733004 2.9625641 ] [ 2.6943633 0.1420652 1.8713656 ] [ 3.0596516 2.3612715 0.8559315 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.873388e-11 3.33741e-11 1.3905842e-10 ] [ 6.485085e-11 2.5279313e-10 3.865929e-11 ] [ -1.000323e-11 2.4733004e-10 2.9625641e-10 ] [ 2.6943633e-10 1.420652e-11 1.8713656e-10 ] [ 3.0596516e-10 2.3612715e-10 8.559315e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.2e-06 3e-06 -2.07e-05 ] [ -4e-06 -6.7e-06 2.7e-06 ] [ 2.23e-05 4.3e-06 -2.2e-06 ] [ 7.9e-06 1.48e-05 6e-06 ] [ -2.4e-05 -1.54e-05 1.42e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.52478856576e-15 4.8065298624e-15 -3.316505605055999e-14 ] [ -6.4087064832e-15 -1.073458335936e-14 4.32587687616e-15 ] [ 3.572853864384e-14 6.889359469440001e-15 -3.52478856576e-15 ] [ 1.265719530432e-14 2.371221398784e-14 9.6130597248e-15 ] [ -3.84522388992e-14 -2.467351996032e-14 2.275090801536e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.065358 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.933083450918225e-18 } }