{ "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" [ 5.45864 0 0 ] "si-unit" "m" "si-value" [ 5.45864e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.103818 5.38839 0 ] "si-unit" "m" "si-value" [ 1.03818e-11 5.388390000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.113176 0.0705962 5.39093 ] "si-unit" "m" "si-value" [ 1.13176e-11 7.05962e-12 5.39093e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000432489 -6.72518e-05 0.0122781 ] [ 1.51992 1.38746 1.2495 ] [ 0.155886 2.80678 2.64329 ] [ 1.56947 4.13166 3.92938 ] [ 2.77407 -0.0290867 2.65575 ] [ 4.2526 1.27774 3.82666 ] [ 2.78396 2.65139 -0.0871139 ] [ 4.18696 3.99308 1.34271 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.32489e-14 -6.72518e-15 1.22781e-12 ] [ 1.51992e-10 1.38746e-10 1.2495e-10 ] [ 1.55886e-11 2.80678e-10 2.64329e-10 ] [ 1.56947e-10 4.13166e-10 3.92938e-10 ] [ 2.77407e-10 -2.90867e-12 2.65575e-10 ] [ 4.2526e-10 1.27774e-10 3.82666e-10 ] [ 2.78396e-10 2.65139e-10 -8.71139e-12 ] [ 4.18696e-10 3.99308e-10 1.34271e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.30498280000000005 -0.0040211000000000005 -0.6280893000000001 ] [ -1.5347498000000004 -0.7956763000000002 0.8288822000000002 ] [ 0.36771210000000004 -1.4132333000000001 -0.13580330000000002 ] [ -0.9600933000000003 -0.9300724000000002 1.6218772000000004 ] [ 0.5228645000000001 1.0676754000000002 -1.1801147000000003 ] [ 0.10135360000000003 1.1624643000000001 1.7675593000000005 ] [ 1.3076245000000002 0.5980696000000001 -0.8951451000000002 ] [ -0.10969460000000003 0.31479390000000007 -1.3791664000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.886363159318953e-10 -6.4425124629774e-12 -1.006310000525416e-09 ] [ -2.458940268596174e-09 -1.274813976087574e-09 1.328015693178515e-09 ] [ 5.891397346590715e-10 -2.264249371650712e-09 -2.175808740800922e-10 ] [ -1.538239051719952e-09 -1.490140267208302e-09 2.598533753057345e-09 ] [ 8.377212846480931e-10 1.710604578576604e-09 -1.89075219777992e-09 ] [ 1.623863696917824e-10 1.862473139319166e-09 2.831942209669397e-09 ] [ 2.095045419945933e-09 9.582131386257263e-10 -1.434180563259594e-09 ] [ -1.757501249959764e-10 5.043554311057327e-10 -2.209668180477898e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.441663 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.838598096270234e-18 } }