{ "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" [ 5.44141 0 0 ] "si-unit" "m" "si-value" [ 5.441410000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0387259 5.36248 0 ] "si-unit" "m" "si-value" [ 3.87259e-12 5.36248e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.184794 -0.00314768 5.51994 ] "si-unit" "m" "si-value" [ -1.84794e-11 -3.14768e-13 5.51994e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.139299 -0.0133288 0.0135909 ] [ 1.42253 1.35934 1.29237 ] [ 0.0199653 2.64656 2.62294 ] [ 1.43068 4.14401 3.95964 ] [ 2.73386 -0.0804287 2.7169 ] [ 4.04879 1.39288 4.20461 ] [ 2.82765 2.77065 0.103593 ] [ 4.1636 4.04392 1.34337 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.39299e-11 -1.33288e-12 1.35909e-12 ] [ 1.42253e-10 1.35934e-10 1.29237e-10 ] [ 1.99653e-12 2.64656e-10 2.62294e-10 ] [ 1.43068e-10 4.14401e-10 3.95964e-10 ] [ 2.73386e-10 -8.042870000000001e-12 2.7169e-10 ] [ 4.04879e-10 1.39288e-10 4.20461e-10 ] [ 2.827650000000001e-10 2.77065e-10 1.03593e-11 ] [ 4.1636e-10 4.04392e-10 1.34337e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.4154705 0.2100785 -1.0063956999999997 ] [ -0.4158439 -0.9535296 0.17221069999999997 ] [ 0.4681418 0.0907799 1.3759766999999998 ] [ -2.3973897 -1.5292204 2.3007427999999996 ] [ 1.1089267 2.3014559 -0.4609174999999999 ] [ -1.0853191 0.7417953 -1.3054754999999998 ] [ -0.7774891 -0.6163539 -2.1529047999999995 ] [ -0.3164972 -0.2450056 1.0767631999999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.472186984132086e-09 3.365828612327328e-10 -1.61242366181365e-09 ] [ -6.662553744822931e-10 -1.527722832360776e-09 2.759119573916025e-10 ] [ 7.500458471792295e-10 1.454454334185619e-10 2.204557699505535e-09 ] [ -3.841041728286726e-09 -2.450081172930425e-09 3.68619632463393e-09 ] [ 1.776696432920895e-09 3.687338836782223e-09 -7.384712426175839e-10 ] [ -1.738872888127697e-09 1.188487087079322e-09 -2.09160232512719e-09 ] [ -1.245674858946833e-09 -9.875078087189011e-10 -3.449333737368099e-09 ] [ -5.070844143886617e-10 -3.925422442850765e-10 1.725164825177794e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -41.039251 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.575212848734302e-18 } }