{ "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" [ [ 4.6505184 0.5169565 -1.1350044999999997 ] [ -0.6243987 -1.1792686 0.5577323999999999 ] [ 0.6519179 0.4806694 1.7540855999999998 ] [ -3.2931154 -2.8252443 3.2120584999999995 ] [ 1.6895655 3.4448932 -1.1693522999999997 ] [ -1.6816708 0.7774924 -1.8789120999999998 ] [ -0.5748563 -0.6582599 -3.0082367999999997 ] [ -0.8179607 -0.5572386 1.6676292999999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.450951916467065e-09 8.28255625094421e-10 -1.818477689384852e-09 ] [ -1.000397007439976e-09 -1.889396596129892e-09 8.935858193047414e-10 ] [ 1.044487626666349e-09 7.701172813587996e-10 2.81035496235587e-09 ] [ -5.276152546945564e-09 -4.526540402801685e-09 5.146285075741088e-09 ] [ 2.706982365712527e-09 5.519327391665488e-09 -1.873508931974158e-09 ] [ -2.694333661840087e-09 1.245680156392581e-09 -3.01034906395987e-09 ] [ -9.210213317676941e-10 -1.054648630879177e-09 -4.81972671049893e-09 ] [ -1.310517521070284e-09 -8.927946644828724e-10 2.671836698633775e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.299014 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.655525543403887e-18 } }