{ "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" [ 5.46438 0 0 ] "si-unit" "m" "si-value" [ 5.46438e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0372754 5.43203 0 ] "si-unit" "m" "si-value" [ 3.72754e-12 5.432030000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.17857 -0.0223871 5.50346 ] "si-unit" "m" "si-value" [ 1.7857e-11 -2.23871e-12 5.503459999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00726127 0.010583 0.00336114 ] [ 1.28417 1.2786 1.26313 ] [ 0.0794421 2.71348 2.73185 ] [ 1.57701 4.05847 4.12903 ] [ 2.78941 -0.159624 2.68623 ] [ 4.22148 1.3448 3.91745 ] [ 2.73822 2.68922 0.00939316 ] [ 4.14349 4.04668 1.21083 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.26127e-13 1.0583e-12 3.36114e-13 ] [ 1.28417e-10 1.2786e-10 1.26313e-10 ] [ 7.944210000000001e-12 2.71348e-10 2.73185e-10 ] [ 1.57701e-10 4.05847e-10 4.12903e-10 ] [ 2.78941e-10 -1.59624e-11 2.68623e-10 ] [ 4.22148e-10 1.3448e-10 3.91745e-10 ] [ 2.73822e-10 2.68922e-10 9.39316e-13 ] [ 4.14349e-10 4.04668e-10 1.21083e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2062684 -0.401817 -2.1910861 ] [ 2.1850155 0.9488475 1.8492567 ] [ 0.3477813 0.5764058 -1.0263084 ] [ -0.9506344 -0.9821006 -0.115106 ] [ 0.1754699 2.0088545 -0.7048566 ] [ -0.5223124 -1.0363188 2.0447016 ] [ -0.2799815 -0.5274192 -1.4465756 ] [ 0.2509299 -0.5864522 1.5899744 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.932655028889823e-09 -6.437818032399935e-10 -3.510506923579851e-09 ] [ 3.500780750185622e-09 1.520221281204528e-09 2.962835850597759e-09 ] [ 5.572070680114311e-10 9.235038968535206e-10 -1.644327324210655e-09 ] [ -1.523084210608236e-09 -1.573498620593652e-09 -1.844201421138048e-10 ] [ 2.811337714341139e-10 3.218539714488874e-09 -1.129304765536577e-09 ] [ -8.36836716033938e-10 -1.660365753055511e-09 3.275973100032353e-09 ] [ -4.485798135565152e-10 -8.450187116010394e-10 -2.317669606539733e-09 ] [ 4.020340192396819e-10 -9.396000040567257e-10 2.547419811350508e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.976086 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.76400438970902e-18 } }