{ "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" [ 5.47211 0 0 ] "si-unit" "m" "si-value" [ 5.47211e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.102197 5.35978 0 ] "si-unit" "m" "si-value" [ 1.02197e-11 5.35978e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0185088 0.0167086 5.27242 ] "si-unit" "m" "si-value" [ 1.85088e-12 1.67086e-12 5.27242e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0278677 0.000879346 0.114128 ] [ 1.32251 1.35955 1.26618 ] [ 0.0215185 2.57215 2.76138 ] [ 1.39174 4.08684 3.88021 ] [ 2.74481 0.155651 2.83937 ] [ 4.07982 1.36064 4.14567 ] [ 2.72904 2.76199 -0.16614 ] [ 4.049 4.11184 1.31405 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.78677e-12 8.79346e-14 1.14128e-11 ] [ 1.32251e-10 1.35955e-10 1.26618e-10 ] [ 2.15185e-12 2.57215e-10 2.76138e-10 ] [ 1.39174e-10 4.08684e-10 3.88021e-10 ] [ 2.74481e-10 1.55651e-11 2.83937e-10 ] [ 4.07982e-10 1.36064e-10 4.14567e-10 ] [ 2.72904e-10 2.76199e-10 -1.6614e-11 ] [ 4.049000000000001e-10 4.11184e-10 1.31405e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0186474 -1.1436579 0.5015123 ] [ 1.0625738 0.8510854 0.2009437 ] [ -0.6384346 0.5439832 -0.8668786 ] [ -1.0343154 0.1481431 -1.1471047 ] [ 0.1045319 0.0180668 -1.1269715 ] [ 1.0353447 -0.2819212 0.1841581 ] [ -0.3088517 0.7147173 1.5275082 ] [ -0.2022014 -0.8504168 0.7268325 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.987642831870592e-11 -1.832341949573224e-09 8.03511282103636e-10 ] [ 1.702430900234615e-09 1.363589130184216e-09 3.21947298237049e-10 ] [ -1.0228849900298e-09 8.715571651479705e-10 -1.388892625991835e-09 ] [ -1.6571559524134e-09 2.373514113528365e-10 -1.837864331949798e-09 ] [ 1.674785663078035e-10 2.894620457266944e-11 -1.805607389607907e-09 ] [ 1.65880507280919e-09 -4.516875555478809e-10 2.950538023509484e-10 ] [ -4.948349730343354e-10 1.1451033485413e-09 2.447337926120291e-09 ] [ -3.239623557730291e-10 -1.362517914895549e-09 1.164514038737616e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 679.53105 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.088728761417676e-16 } }