{ "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" [ [ 2.750115 2.05781 3.008489 ] [ 2.459373 1.512643 5.182306 ] [ 3.045421 4.403069 3.012822 ] [ 1.351279 3.64529 4.777489 ] [ 4.685264 1.369475 1.888704 ] [ 3.677702 3.202643 0.9471066 ] [ 3.576002 3.111527 4.892003 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.750115e-10 2.05781e-10 3.008489e-10 ] [ 2.459373e-10 1.512643e-10 5.182306e-10 ] [ 3.045421e-10 4.403069e-10 3.012822e-10 ] [ 1.351279e-10 3.64529e-10 4.777489e-10 ] [ 4.685264e-10 1.369475e-10 1.888704e-10 ] [ 3.677702e-10 3.202643e-10 9.471066000000001e-11 ] [ 3.576002e-10 3.111527e-10 4.892003e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.2874956 -11.2580819 -10.5748826 ] [ -8.9136583 -24.2911408 9.6041347 ] [ 1.1653592 6.7224101 -3.838367 ] [ -10.141727 9.4871491 5.9460178 ] [ 3.8580339 -4.6811587 1.3987118 ] [ 0.869421 5.9955496 -7.9649603 ] [ 16.4500669 18.0252727 5.4293456 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.26714863469781e-09 -1.803743576383833e-08 -1.694282980901317e-08 ] [ -1.428125505172016e-08 -3.891869820296407e-08 1.53875202061286e-08 ] [ 1.867111280456933e-09 1.07704883863856e-08 -6.149741920116678e-09 ] [ -1.624883802780691e-08 1.520008861129413e-08 9.526570784508085e-09 ] [ 6.181251767759892e-09 -7.500043089185816e-09 2.240983363660081e-09 ] [ 1.392966011308914e-09 9.605929477108047e-09 -1.276127328339763e-08 ] [ 2.635591281491681e-08 2.887967074141809e-08 8.69877065823071e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -3.6034241 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.773321895412479e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.3840903 1.3612062 3.2225079 ] [ 3.7253821 0.8320975 5.2511931 ] [ 2.7713262 3.7000478 3.4724144 ] [ 0.6831405 4.8705527 3.5219969 ] [ 3.8585866 1.2406878 1.2210299 ] [ 4.1310615 3.8627743 1.4005867 ] [ 3.9915687 3.4350906 5.6191906 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3840903e-10 1.3612062e-10 3.2225079e-10 ] [ 3.7253821e-10 8.320975000000001e-11 5.251193100000001e-10 ] [ 2.7713262e-10 3.7000478e-10 3.4724144e-10 ] [ 6.831405e-11 4.8705527e-10 3.5219969e-10 ] [ 3.8585866e-10 1.2406878e-10 1.2210299e-10 ] [ 4.1310615e-10 3.8627743e-10 1.4005867e-10 ] [ 3.9915687e-10 3.4350906e-10 5.6191906e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.23e-05 2.57e-05 -7.9e-06 ] [ -2.11e-05 2.52e-05 -1.6e-06 ] [ 5.51e-05 -6.91e-05 -2.63e-05 ] [ -6.2e-05 2.78e-05 2.37e-05 ] [ -3.9e-06 -4.4e-06 -4.5e-06 ] [ 2.4e-06 -8.6e-06 4.14e-05 ] [ 7.3e-06 3.5e-06 -2.49e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.572853893819999e-14 4.11759394938e-14 -1.26571954086e-14 ] [ -3.38059269774e-14 4.037485117679999e-14 -2.5634826144e-15 ] [ 8.827993253339999e-14 -1.107104054094e-13 -4.21372454742e-14 ] [ -9.933495130799999e-14 4.454051042519999e-14 3.79715862258e-14 ] [ -6.248488872599999e-15 -7.0495771896e-15 -7.209794853e-15 ] [ 3.845223921599999e-15 -1.37787190524e-14 6.633011264759999e-14 ] [ 1.16958894282e-14 5.607618218999999e-15 -3.989419818659999e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.675903 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.31264486734505e-18 } }