{ "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" [ [ 3.7105912 0.2505593 -0.6547622999999999 ] [ -0.2852751 -0.8689066 0.32169249999999994 ] [ 0.2642576 0.2593216 1.6162299999999998 ] [ -2.5504812 -2.2658649 2.5886258999999994 ] [ 1.3009188 2.7462137 -0.9828853999999999 ] [ -1.2439083 0.8393766 -1.7740792999999997 ] [ -0.7071762 -0.7453109 -2.4214555999999994 ] [ -0.4889268 -0.2153889 1.3066341999999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.94502251896602e-09 4.014402558913961e-10 -1.049044857884098e-09 ] [ -4.570610994820134e-10 -1.392141851648384e-09 5.154082068330448e-10 ] [ 4.233873520769183e-10 4.154790082114943e-10 2.58948594116982e-09 ] [ -4.086321384096281e-09 -3.630315798580746e-09 4.147435931147219e-09 ] [ 2.084301704091319e-09 4.399919422110686e-09 -1.574756021779743e-09 ] [ -1.992960813098662e-09 1.344829575646364e-09 -2.842388401323075e-09 ] [ -1.133021183760911e-09 -1.19411970904551e-09 -3.879599582588449e-09 ] [ -7.833470946963911e-10 -3.450910628029626e-10 2.093458784425282e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.659279 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.713246359908688e-18 } }