{ "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" [ 5.4484 0 0 ] "si-unit" "m" "si-value" [ 5.448400000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00476084 5.4399 0 ] "si-unit" "m" "si-value" [ 4.76084e-13 5.4399e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0697031 -0.0639637 5.39979 ] "si-unit" "m" "si-value" [ -6.970310000000001e-12 -6.39637e-12 5.39979e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00902537 -0.0303023 -0.0491559 ] [ 1.28054 1.44048 1.35481 ] [ -0.0535965 2.57981 2.82719 ] [ 1.28029 4.0563 4.12138 ] [ 2.62772 -0.0777145 2.68834 ] [ 4.08246 1.48548 4.03991 ] [ 2.84369 2.84518 0.0189163 ] [ 4.03071 4.03913 1.36727 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.02537e-13 -3.03023e-12 -4.91559e-12 ] [ 1.28054e-10 1.44048e-10 1.35481e-10 ] [ -5.35965e-12 2.57981e-10 2.82719e-10 ] [ 1.28029e-10 4.0563e-10 4.12138e-10 ] [ 2.62772e-10 -7.771450000000001e-12 2.68834e-10 ] [ 4.08246e-10 1.48548e-10 4.03991e-10 ] [ 2.84369e-10 2.84518e-10 1.89163e-12 ] [ 4.03071e-10 4.03913e-10 1.36727e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8440488 1.1076331 1.012498 ] [ 1.0355295 -0.8707075 -0.5198987 ] [ 0.9760035 2.7451666 -1.8308485 ] [ 0.6716923 -0.6461468 -0.7971011 ] [ 0.2215387 1.2353908 0.3761282 ] [ -1.7098225 -3.0752584 1.0509608 ] [ -2.084681 -1.2895099 -0.3916669 ] [ 1.7337883 0.7934321 1.0999282 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.352315254174295e-09 1.774623857244228e-09 1.622200624206758e-09 ] [ 1.659101155048714e-09 -1.395027200055216e-09 -8.32969542324313e-10 ] [ 1.563729989518973e-09 4.398241746721025e-09 -2.933342662926749e-09 ] [ 1.07616969943138e-09 -1.035241296564733e-09 -1.277096746833963e-09 ] [ 3.54944125742425e-10 1.979314257311409e-09 6.026238084635866e-10 ] [ -2.739437635217808e-09 -4.927107111398815e-09 1.683824823137265e-09 ] [ -3.340027160025964e-09 -2.066022614070146e-09 -6.275195503212115e-10 ] [ 2.777835079676577e-09 1.271218360812248e-09 1.762279246598627e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.593451 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.100522883779039e-18 } }