{ "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" [ 5.36838 0 0 ] "si-unit" "m" "si-value" [ 5.368380000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0320632 5.46183 0 ] "si-unit" "m" "si-value" [ -3.20632e-12 5.46183e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0835799 0.195471 5.46165 ] "si-unit" "m" "si-value" [ -8.35799e-12 1.95471e-11 5.461649999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0445787 0.0905296 0.00673122 ] [ 1.23056 1.45848 1.40837 ] [ -0.162897 2.78891 2.76222 ] [ 1.2265 4.23635 3.86532 ] [ 2.68005 0.105406 2.5782 ] [ 3.88338 1.64051 4.20954 ] [ 2.69942 2.77008 0.000613011 ] [ 4.15957 4.14184 1.16379 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.45787e-12 9.05296e-12 6.731220000000001e-13 ] [ 1.23056e-10 1.45848e-10 1.40837e-10 ] [ -1.62897e-11 2.78891e-10 2.76222e-10 ] [ 1.2265e-10 4.23635e-10 3.86532e-10 ] [ 2.68005e-10 1.05406e-11 2.5782e-10 ] [ 3.88338e-10 1.64051e-10 4.20954e-10 ] [ 2.69942e-10 2.77008e-10 6.13011e-14 ] [ 4.159570000000001e-10 4.14184e-10 1.16379e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.5610560000000007 0.4827840000000001 -2.2157766000000003 ] [ 0.4039947000000001 0.42972870000000013 -0.8157222000000002 ] [ 0.8924360000000002 0.4062843000000001 -1.1144056000000002 ] [ 0.24329690000000007 0.7212737000000001 2.3587057000000002 ] [ 0.9977068000000002 -0.06571530000000002 0.7341863000000001 ] [ -0.19615060000000006 -2.0433012000000006 -1.8421253000000004 ] [ -1.8705972000000004 0.8415637000000002 0.047672100000000016 ] [ -3.0317426000000007 -0.7726179000000002 2.8474654000000004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.103264081565504e-09 7.735052440690561e-10 -3.550065494683964e-09 ] [ 6.472708685998399e-10 6.88501282099196e-10 -1.306931048675075e-09 ] [ 1.429840106540424e-09 6.509392122210464e-10 -1.785474613118751e-09 ] [ 3.898046083046347e-10 1.155607868858726e-09 3.779063159022614e-09 ] [ 1.598502522542911e-09 -1.052875181563002e-10 1.176296134862914e-09 ] [ -3.142679080650804e-10 -3.273729438864162e-09 -2.951410112560241e-09 ] [ -2.997027125465825e-09 1.348333696162586e-09 7.637912471371141e-11 ] [ -4.857387154022408e-09 -1.237870346390149e-09 4.562142530003463e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.660357 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.713419074549833e-18 } }