{ "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" [ [ 1.173582 1.448006 2.849718 ] [ 1.983285 3.621531 1.348175 ] [ 2.327062 3.623818 3.682153 ] [ 3.341801 1.495458 1.660386 ] [ 3.963915 2.011825 3.715692 ] [ 4.47485 3.510245 1.32465 ] [ 4.551743 4.234559 4.054178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.173582e-10 1.448006e-10 2.849718e-10 ] [ 1.983285e-10 3.621531e-10 1.348175e-10 ] [ 2.327062e-10 3.623818e-10 3.682153e-10 ] [ 3.341801e-10 1.495458e-10 1.660386e-10 ] [ 3.963915e-10 2.011825e-10 3.715692e-10 ] [ 4.47485e-10 3.510245e-10 1.32465e-10 ] [ 4.551743e-10 4.234559e-10 4.054178000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2214166 0.6739069 -0.643411 ] [ -1.2226601 -0.0359284 -1.2819919 ] [ -3.9606026 1.3524217 1.5635867 ] [ -1.1827808 -3.3789458 -3.0187643 ] [ 3.0107618 -4.9919436 6.5205797 ] [ 2.2966898 4.8595084 0.141664 ] [ 2.2800086 1.5209809 -3.2816632 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.956925120777025e-09 1.079717879775804e-09 -1.030858061765549e-09 ] [ -1.95891742740499e-09 -5.756364250275072e-11 -2.053977450234972e-09 ] [ -6.345584889999694e-09 2.166818429202592e-09 2.505142055333824e-09 ] [ -1.89502374529112e-09 -5.413667963710352e-09 -4.836593585165677e-09 ] [ 4.823772166757726e-09 -7.997975328272187e-09 1.044712034940308e-08 ] [ 3.679702702789828e-09 7.785790747061216e-09 2.269707488090112e-10 ] [ 3.652976474142939e-09 2.436880038663343e-09 -5.257804056379715e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.124953 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.263066946649882e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3006351 1.7327238 2.2276469 ] [ 1.7720652 4.074943 1.469039 ] [ 2.1781955 3.4531215 3.9431266 ] [ 3.6632128 1.2045671 1.9722374 ] [ 4.1533119 1.8218116 4.275448 ] [ 4.1240675 3.4942453 1.2306314 ] [ 4.62475 4.1640297 3.5168227 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3006351e-10 1.7327238e-10 2.2276469e-10 ] [ 1.7720652e-10 4.074943e-10 1.469039e-10 ] [ 2.1781955e-10 3.4531215e-10 3.9431266e-10 ] [ 3.6632128e-10 1.2045671e-10 1.9722374e-10 ] [ 4.1533119e-10 1.8218116e-10 4.275448e-10 ] [ 4.1240675e-10 3.4942453e-10 1.2306314e-10 ] [ 4.62475e-10 4.164029700000001e-10 3.5168227e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.3e-06 -7.7e-06 1.83e-05 ] [ 8.1e-06 2.12e-05 -2.3e-05 ] [ -1.06e-05 1.21e-05 -1.6e-06 ] [ 6.1e-06 -5.5e-06 8.5e-06 ] [ 2.53e-05 -8.1e-06 -1.59e-05 ] [ -3.4e-06 5e-06 1.22e-05 ] [ -2.13e-05 -1.71e-05 1.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.889359469440001e-15 -1.233675998016e-14 2.931983216064e-14 ] [ 1.297763062848e-14 3.396614436096001e-14 -3.68500622784e-14 ] [ -1.698307218048e-14 1.938633711168e-14 -2.56348259328e-15 ] [ 9.77327738688e-15 -8.8119714144e-15 1.36185012768e-14 ] [ 4.053506850624e-14 -1.297763062848e-14 -2.547460827072e-14 ] [ -5.44740051072e-15 8.010883104e-15 1.954655477376e-14 ] [ -3.412636202304e-14 -2.739722021568e-14 2.4032649312e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.72791 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.840324293764653e-18 } }