{ "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" [ 5.4737 0 0 ] "si-unit" "m" "si-value" [ 5.4737e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00330015 5.48579 0 ] "si-unit" "m" "si-value" [ -3.30015e-13 5.48579e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0734366 -0.160082 5.49307 ] "si-unit" "m" "si-value" [ 7.34366e-12 -1.60082e-11 5.49307e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.150853 0.00970189 0.0764733 ] [ 1.36952 1.32009 1.51972 ] [ 0.0340703 2.70337 2.97189 ] [ 1.37909 3.89909 4.39384 ] [ 2.73154 -0.0872152 2.86586 ] [ 4.10719 1.23544 4.14892 ] [ 2.70311 2.76853 0.030971 ] [ 4.04883 4.00647 1.36661 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.50853e-11 9.70189e-13 7.647329999999999e-12 ] [ 1.36952e-10 1.32009e-10 1.51972e-10 ] [ 3.40703e-12 2.70337e-10 2.97189e-10 ] [ 1.37909e-10 3.89909e-10 4.39384e-10 ] [ 2.73154e-10 -8.72152e-12 2.86586e-10 ] [ 4.10719e-10 1.23544e-10 4.148920000000001e-10 ] [ 2.70311e-10 2.76853e-10 3.0971e-12 ] [ 4.04883e-10 4.00647e-10 1.36661e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1865377 -0.0985938 0.8081407 ] [ -0.4880417 0.3313216 -0.382815 ] [ -0.4964371 -1.1239327 -1.7877896 ] [ -0.7082698 2.4920766 -2.0909496 ] [ -0.392782 -0.9873328 -0.7329697 ] [ 0.2904359 0.4106416 0.798864 ] [ 0.0489195 -2.4055841 1.4609034 ] [ 0.5596374 1.3814035 1.9266159 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.901042962637804e-09 -1.57964681315831e-10 1.294784135856947e-09 ] [ -7.819290017154874e-10 5.308357214860493e-10 -6.133372430915521e-10 ] [ -7.953799153177516e-10 -1.80073869529262e-09 -2.864354700029384e-09 ] [ -1.134773314778692e-09 3.992746865762753e-09 -3.350070564391112e-09 ] [ -6.293061374710656e-10 -1.581881529109002e-09 -1.17434691709479e-09 ] [ 4.653296088210068e-10 6.579203710479053e-10 1.279921223998771e-09 ] [ 7.837767920122561e-11 -3.85417060438821e-09 2.340625272727231e-09 ] [ 8.96637958405298e-10 2.213252391591293e-09 3.086778952241551e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -37.02935 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.932755885342048e-18 } }