{ "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" [ [ -1.4095545 -0.2770434 0.1537659 ] [ -0.3357445 1.3037277 -2.6479434 ] [ -1.7164554 0.6390794 0.456096 ] [ 2.5047573 0.4066023 0.7345308 ] [ 1.0087097 -2.5559058 1.7101052 ] [ 0.0361784 0.818916 1.2694393 ] [ -0.7326345 -0.3808663 -1.3367546 ] [ 0.6447434 0.04549 -0.3392391 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.258355265643434e-09 -4.438724584269427e-10 2.463601300562707e-10 ] [ -5.379219884621856e-10 2.088802040829356e-09 -4.242473008681663e-09 ] [ -2.750064712525913e-09 1.023918073514891e-09 7.307463480403969e-10 ] [ 4.013063586838132e-09 6.514486990235079e-10 1.176848075017521e-09 ] [ 1.616131098514182e-09 -4.095012517727121e-09 2.739890570548508e-09 ] [ 5.796418665795072e-11 1.312048069599053e-09 2.033865967984717e-09 ] [ -1.173809867491498e-09 -6.102150815105991e-10 -2.141716967866856e-09 ] [ 1.032992801895103e-09 7.2883014480192e-11 -5.435209548812333e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -37.046506 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.935504579552693e-18 } }