{ "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" [ [ -1.3551086 -3.4779638 -4.0725397 ] [ -5.2094874 -8.6831769 3.4973995 ] [ -0.1071715 1.5747054 -1.5652244 ] [ -2.6900561 1.6401913 -0.0080643 ] [ 0.2015488 -0.3290402 -0.0879501 ] [ 0.1899693 1.2819899 -0.1402157 ] [ 8.9703055 7.9932942 2.3765947 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.171123317565019e-09 -5.572312288348727e-09 -6.524927894619846e-09 ] [ -8.34651891863218e-09 -1.391198302345062e-08 5.603451712497609e-09 ] [ -1.717076717160672e-10 2.522956176527512e-09 -2.507765939985707e-09 ] [ -4.309944992060427e-09 2.627876154499559e-09 -1.292043292311744e-11 ] [ 3.229167753102951e-10 -5.271805157433563e-10 -1.409115940170221e-10 ] [ 3.043643711297415e-10 2.05397424588173e-09 -2.246503164091066e-10 ] [ 1.437201375353366e-08 1.280666909041624e-08 3.80772446545719e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.594643 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.658754904512238e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1292772 1.2062941 3.3762192 ] [ 3.3495314 1.5195077 5.2935367 ] [ 3.1076528 4.5747333 3.3325697 ] [ 1.1852034 3.3054961 3.2527619 ] [ 3.5779107 1.405391 1.6084424 ] [ 4.2119625 3.5884638 1.5801431 ] [ 3.983618 3.702571 5.2652467 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1292772e-10 1.2062941e-10 3.3762192e-10 ] [ 3.3495314e-10 1.5195077e-10 5.293536699999999e-10 ] [ 3.1076528e-10 4.5747333e-10 3.3325697e-10 ] [ 1.1852034e-10 3.3054961e-10 3.2527619e-10 ] [ 3.5779107e-10 1.405391e-10 1.6084424e-10 ] [ 4.2119625e-10 3.5884638e-10 1.5801431e-10 ] [ 3.983618e-10 3.702571e-10 5.2652467e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.83e-05 8.4e-06 3.61e-05 ] [ 6.1e-06 1.6e-06 2.35e-05 ] [ 2.3e-05 1.13e-05 -3.5e-06 ] [ -1.09e-05 -4.87e-05 -2.59e-05 ] [ -1.67e-05 4.37e-05 -9.6e-06 ] [ 2.24e-05 2.5e-06 -2.98e-05 ] [ -5.6e-06 -1.89e-05 9.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.931983216064e-14 1.345828361472e-14 5.783857601088001e-14 ] [ 9.77327738688e-15 2.56348259328e-15 3.76511505888e-14 ] [ 3.68500622784e-14 1.810459581504e-14 -5.6076181728e-15 ] [ -1.746372516672e-14 -7.802600143296e-14 -4.149637447872e-14 ] [ -2.675634956736e-14 7.001511832895999e-14 -1.538089555968e-14 ] [ 3.588875630592e-14 4.005441552e-15 -4.774486329984001e-14 ] [ -8.972189076479999e-15 -3.028113813312e-14 1.457980724928e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.432283 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.59404793737693e-18 } }