{ "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" [ 5.42802 0 0 ] "si-unit" "m" "si-value" [ 5.42802e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0476613 5.42825 0 ] "si-unit" "m" "si-value" [ -4.76613e-12 5.42825e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0987222 -0.186163 5.49756 ] "si-unit" "m" "si-value" [ -9.87222e-12 -1.86163e-11 5.49756e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0306296 -0.063852 -0.0490719 ] [ 1.36252 1.37203 1.3263 ] [ 0.0367903 2.58342 2.70389 ] [ 1.37777 4.04701 4.07282 ] [ 2.72906 0.000401884 2.69217 ] [ 4.00266 1.36136 4.06132 ] [ 2.83534 2.75342 0.0381881 ] [ 4.01886 4.16847 1.28111 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.06296e-12 -6.385200000000001e-12 -4.907190000000001e-12 ] [ 1.36252e-10 1.37203e-10 1.3263e-10 ] [ 3.67903e-12 2.58342e-10 2.70389e-10 ] [ 1.37777e-10 4.04701e-10 4.07282e-10 ] [ 2.72906e-10 4.01884e-14 2.69217e-10 ] [ 4.00266e-10 1.36136e-10 4.06132e-10 ] [ 2.83534e-10 2.75342e-10 3.818810000000001e-12 ] [ 4.01886e-10 4.16847e-10 1.28111e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7566228999999998 1.9835549999999995 -0.8158365999999998 ] [ 0.35460949999999997 -0.8023721999999998 -0.4374498999999999 ] [ -0.7666929999999997 1.8880219999999996 -0.07098599999999998 ] [ -0.17203299999999996 -1.1919233999999999 0.3240414999999999 ] [ -0.4933755999999999 0.29930689999999993 -0.12166669999999997 ] [ 0.9979385999999998 -1.2308556999999998 0.3968438999999999 ] [ -1.6943059999999996 0.3863621999999999 -0.9539002999999998 ] [ 1.0172366999999998 -1.3320947999999997 1.6789541999999995 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.212243521141896e-09 3.178005447070943e-09 -1.307114326912961e-09 ] [ 5.681470504135776e-10 -1.285541980019861e-09 -7.008720025512978e-10 ] [ -1.228377599931014e-09 3.024944707956057e-09 -1.137321096041088e-10 ] [ -2.756272506060863e-10 -1.909671805264446e-09 5.191717154689631e-10 ] [ -7.904748515931724e-10 4.795425176241234e-10 -1.949315422698873e-10 ] [ 1.598873893913883e-09 -1.972048226118418e-09 6.358140186870931e-10 ] [ -2.714577461681165e-09 6.190204840008536e-10 -1.528316759234106e-09 ] [ 1.629792858559743e-09 -2.134251145249251e-09 2.689981166633966e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.039568 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.531128058213181e-18 } }