{ "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" [ 5.42446 0 0 ] "si-unit" "m" "si-value" [ 5.42446e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00225581 5.46076 0 ] "si-unit" "m" "si-value" [ -2.25581e-13 5.46076e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0117255 0.0343157 5.56103 ] "si-unit" "m" "si-value" [ -1.17255e-12 3.43157e-12 5.56103e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0182071 0.00139191 0.0164222 ] [ 1.32892 1.32964 1.49498 ] [ -0.00509802 2.67752 2.7579 ] [ 1.15566 4.0451 4.18086 ] [ 2.64397 0.106198 2.73506 ] [ 4.03699 1.34406 4.11378 ] [ 2.695 2.72586 0.109097 ] [ 4.00933 4.13019 1.43696 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.82071e-12 1.39191e-13 1.64222e-12 ] [ 1.32892e-10 1.32964e-10 1.49498e-10 ] [ -5.098020000000001e-13 2.67752e-10 2.7579e-10 ] [ 1.15566e-10 4.0451e-10 4.18086e-10 ] [ 2.64397e-10 1.06198e-11 2.73506e-10 ] [ 4.036990000000001e-10 1.34406e-10 4.11378e-10 ] [ 2.695e-10 2.72586e-10 1.09097e-11 ] [ 4.009330000000001e-10 4.13019e-10 1.43696e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9796135 -0.194701 0.0306998 ] [ -0.3708583 0.9328813 -2.1009782 ] [ -1.1796071 0.5634325 0.4016641 ] [ 2.0981063 0.5543153 0.3460835 ] [ 0.5712932 -2.1724487 1.6467228 ] [ -0.1026854 0.6186206 1.1121851 ] [ -0.3510311 -0.2236726 -1.1063814 ] [ 0.3143958 -0.0784274 -0.3299957 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.569513860050959e-09 -3.11945392816434e-10 4.918650222847319e-11 ] [ -5.941805027849621e-10 1.494640621155544e-09 -3.366138180583379e-09 ] [ -1.889938932920501e-09 9.027183863362049e-10 6.435368357366394e-10 ] [ 3.361536889508194e-09 8.881110215287001e-10 5.544868971129389e-10 ] [ 9.153126162030887e-10 -3.480646545703675e-09 2.638340792835055e-09 ] [ -1.645201485329436e-10 9.911394706310603e-10 1.781916979902953e-09 ] [ -5.624138262273173e-10 -3.583630133860283e-10 -1.772618427372208e-09 ] [ 5.037176045877372e-10 -1.256545477453716e-10 -5.287113998604737e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.34574 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.823229537343916e-18 } }