{ "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" [ [ 0.9541135 0.9980995 1.487518 ] [ 0.5060444 0.4713921 2.728449 ] [ 2.547937 2.415228 0.679434 ] [ 2.841188 2.325305 2.080908 ] [ 1.503866 2.653234 2.3648 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.541135e-11 9.980995000000001e-11 1.487518e-10 ] [ 5.060444e-11 4.713921e-11 2.728449e-10 ] [ 2.547937e-10 2.415228e-10 6.79434e-11 ] [ 2.841188e-10 2.325305e-10 2.080908e-10 ] [ 1.503866e-10 2.653234e-10 2.3648e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.2695704 -12.1643198 -22.9612704 ] [ -2.5895969 -3.5286047 14.2612598 ] [ 13.4104022 -0.6338329 -34.1429972 ] [ 9.8931247 -4.917275 9.6418249 ] [ -18.4443597 21.2440324 33.2011828 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.636252634139704e-09 -1.948938879149453e-08 -3.678801061874707e-08 ] [ -4.148991610476156e-09 -5.653447954384998e-09 2.284905703471488e-08 ] [ 2.148583288036489e-08 -1.015512253873864e-09 -5.470311187787987e-08 ] [ 1.585053310099901e-08 -7.87834304304432e-09 1.54479064366273e-08 ] [ -2.95511218969657e-08 3.403669204279771e-08 5.319415886506708e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 31.92522360076505 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.114984686695816e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5876689 0.9791227 0.8195516 ] [ 0.35746 0.4492441 3.0361588 ] [ 2.5312028 2.2814952 0.48884 ] [ 3.603381 2.6243525 2.4838327 ] [ 1.2734363 2.5290441 2.5127259 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.876689000000001e-11 9.791227e-11 8.195516e-11 ] [ 3.5746e-11 4.492441e-11 3.0361588e-10 ] [ 2.5312028e-10 2.2814952e-10 4.8884e-11 ] [ 3.603381e-10 2.6243525e-10 2.4838327e-10 ] [ 1.2734363e-10 2.5290441e-10 2.5127259e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3e-07 2e-07 2.3e-06 ] [ 8e-07 1.9e-06 -2.2e-06 ] [ -9e-07 -6e-07 -2.4e-06 ] [ 2.2e-06 4e-07 1.8e-06 ] [ -2.3e-06 -1.9e-06 5e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.8065298624e-16 3.2043532416e-16 3.68500622784e-15 ] [ 1.28174129664e-15 3.04413557952e-15 -3.52478856576e-15 ] [ -1.44195895872e-15 -9.6130597248e-16 -3.84522388992e-15 ] [ 3.52478856576e-15 6.408706483200001e-16 2.88391791744e-15 ] [ -3.68500622784e-15 -3.04413557952e-15 8.010883104e-16 ] ] } "relaxed-potential-energy" { "source-value" -4.883549399234948 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.824308673976119e-19 } }