{ "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" [ 5.39006 0 0 ] "si-unit" "m" "si-value" [ 5.39006e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.23331 5.36322 0 ] "si-unit" "m" "si-value" [ 2.3331e-11 5.36322e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.160148 -0.0213292 5.4933 ] "si-unit" "m" "si-value" [ -1.60148e-11 -2.13292e-12 5.4933e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.105355 0.0424721 -0.0304949 ] [ 1.33629 1.36991 1.45967 ] [ -0.05353 2.71357 2.83859 ] [ 1.26119 4.17265 4.20892 ] [ 2.69817 -0.0783338 2.63037 ] [ 3.99124 1.24872 4.05842 ] [ 2.76699 2.61469 0.0747626 ] [ 4.02836 3.96527 1.47431 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.05355e-11 4.24721e-12 -3.04949e-12 ] [ 1.33629e-10 1.36991e-10 1.45967e-10 ] [ -5.353e-12 2.71357e-10 2.83859e-10 ] [ 1.26119e-10 4.17265e-10 4.20892e-10 ] [ 2.69817e-10 -7.83338e-12 2.63037e-10 ] [ 3.99124e-10 1.24872e-10 4.05842e-10 ] [ 2.76699e-10 2.61469e-10 7.47626e-12 ] [ 4.02836e-10 3.96527e-10 1.47431e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.4857164 1.1657836 4.4816315 ] [ 0.0268789 0.1725211 -0.665797 ] [ 0.8191861 -0.2868959 0.4650278 ] [ 4.3965854 -3.617487 -3.5557664 ] [ -3.7662548 2.0981905 4.3102093 ] [ -0.4271696 0.7916472 0.707819 ] [ -0.6110121 0.4428045 -1.3437575 ] [ 4.0475026 -0.7665641 -4.3993666 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.186909943619142e-09 1.867791228832059e-09 7.180365212340835e-09 ] [ 4.306474517282112e-11 2.764092730146989e-10 -1.066724387598778e-09 ] [ 1.312480817504331e-09 -4.596579035833747e-10 7.450566691820583e-10 ] [ 7.044106339230617e-09 -5.79585309744793e-09 -5.696965795106181e-09 ] [ -6.03420538853578e-09 3.361671765084662e-09 6.905716571214734e-09 ] [ -6.844011462364876e-10 1.268358635761782e-09 1.134051053558035e-09 ] [ -9.789493016459116e-10 7.094510174850335e-10 -2.152936850524656e-09 ] [ 6.484814038347214e-09 -1.228171079364593e-09 -7.048562312848385e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.764906 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.569951961750965e-18 } }