{ "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" [ [ -0.8221997 -0.0215054 0.1781906 ] [ -0.261145 0.7467523 -1.7236276 ] [ -1.1242683 0.4138978 0.0260582 ] [ 2.1078662 0.5769784 0.1084833 ] [ 0.0499151 -2.1481451 1.5772108 ] [ -0.1077262 0.6387664 1.1277413 ] [ -0.3867368 -0.3147591 -1.1816948 ] [ 0.5442947 0.1080147 -0.1123617 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.317309136968774e-09 -3.445544910095232e-11 2.854928133663245e-10 ] [ -4.18400413638816e-10 1.196429076588628e-09 -2.761555843685614e-09 ] [ -1.801276385766561e-09 6.631373785605543e-10 4.174983882013056e-11 ] [ 3.377173945414537e-09 9.244213031865908e-10 1.738094070072326e-10 ] [ 7.997280624489407e-11 -3.441707857306078e-09 2.526970269833265e-09 ] [ -1.725963990876249e-10 1.023416592232581e-09 1.806840745170599e-09 ] [ -6.196206593630055e-10 -5.042996712040494e-10 -1.893283781480932e-09 ] [ 8.720562431653499e-10 1.730586270427258e-10 -1.800232888133434e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -41.517427 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.651825089517068e-18 } }