{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.4737 0 0 ] "si-unit" "m" "si-value" [ 5.4737e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00330015 5.48579 0 ] "si-unit" "m" "si-value" [ -3.30015e-13 5.48579e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0734366 -0.160082 5.49307 ] "si-unit" "m" "si-value" [ 7.34366e-12 -1.60082e-11 5.49307e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.150853 0.00970189 0.0764733 ] [ 1.36952 1.32009 1.51972 ] [ 0.0340703 2.70337 2.97189 ] [ 1.37909 3.89909 4.39384 ] [ 2.73154 -0.0872152 2.86586 ] [ 4.10719 1.23544 4.14892 ] [ 2.70311 2.76853 0.030971 ] [ 4.04883 4.00647 1.36661 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.50853e-11 9.70189e-13 7.647329999999999e-12 ] [ 1.36952e-10 1.32009e-10 1.51972e-10 ] [ 3.40703e-12 2.70337e-10 2.97189e-10 ] [ 1.37909e-10 3.89909e-10 4.39384e-10 ] [ 2.73154e-10 -8.72152e-12 2.86586e-10 ] [ 4.10719e-10 1.23544e-10 4.148920000000001e-10 ] [ 2.70311e-10 2.76853e-10 3.0971e-12 ] [ 4.04883e-10 4.00647e-10 1.36661e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9597883 0.2620934 0.5733348 ] [ -0.3530159 0.1967733 -0.5798716 ] [ -0.7250028 -0.4987289 -1.7234464 ] [ -0.2336092 2.2615917 -1.9013084 ] [ -0.5974412 -1.069311 -0.2962169 ] [ 0.2664289 0.2365044 0.7588568 ] [ -0.0390475 -2.1158329 1.2342502 ] [ 0.7218993 0.7269102 1.9344016 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.537750375177377e-09 4.199199179459827e-10 9.185836124510439e-10 ] [ -5.655938217506708e-10 3.152655808576646e-10 -9.290567205858893e-10 ] [ -1.161582536174538e-09 -7.990517836973011e-10 -2.761265529281925e-09 ] [ -3.742831986437913e-10 3.623469347535327e-09 -3.046231867410655e-09 ] [ -9.572063229426969e-10 -1.713225084564269e-09 -4.745917918658516e-10 ] [ 4.268661546854611e-10 3.789218203963315e-10 1.215822623495101e-09 ] [ -6.2560991600688e-11 -3.389938005899464e-09 1.977486814657724e-09 ] [ 1.156610181031885e-09 1.164638527861052e-09 3.099253018758113e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.258106 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.809188974768821e-18 } }