{ "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" [ [ 3.7211727 0.2424502 -0.6546842999999999 ] [ -0.2881575 -0.8973014 0.30963309999999994 ] [ 0.2490353 0.2606731 1.6192060999999998 ] [ -2.5629641 -2.2585971 2.5967536999999994 ] [ 1.3124634 2.7411138 -0.9985008999999999 ] [ -1.2428793 0.8480612 -1.7686579999999998 ] [ -0.6989611 -0.7420461 -2.4198682999999996 ] [ -0.4897094 -0.1943537 1.3161186999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.961975901899212e-09 3.884480421482842e-10 -1.048919879464813e-09 ] [ -4.61679209608176e-10 -1.437635324891109e-09 4.960869138458284e-10 ] [ 3.989985354139142e-10 4.176443464914604e-10 2.594254157676747e-09 ] [ -4.106321160969713e-09 -3.618671469426679e-09 4.160458068115896e-09 ] [ 2.102798175135679e-09 4.391748445312247e-09 -1.599774797827759e-09 ] [ -1.991312156936269e-09 1.358743827647593e-09 -2.833702497790886e-09 ] [ -1.119859133268651e-09 -1.188888912975819e-09 -3.87705641567504e-09 ] [ -7.846009516659956e-10 -3.11388954305977e-10 2.108654611337689e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.665217 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.714197685315872e-18 } }