{ "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" [ [ -1.1049407 1.7714819 1.5568205 ] [ 1.2579898 -1.770372 -0.4142232 ] [ 2.0107313 4.191603 -2.8844884 ] [ 1.1151492 -0.9071521 -1.2127329 ] [ -0.0771225 1.437725 0.1056943 ] [ -2.476967 -4.5040558 2.2056108 ] [ -2.9663094 -1.7301898 -0.9085748 ] [ 2.2414693 1.5109598 1.5518936 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.770310156910387e-09 2.838226884350363e-09 2.494301407882166e-09 ] [ 2.015521846764868e-09 -2.836448628518938e-09 -6.636587268329626e-10 ] [ 3.221546679570791e-09 6.715688330275142e-09 -4.621459877448799e-09 ] [ 1.786665976943824e-09 -1.453417886129624e-09 -1.943012299654984e-09 ] [ -1.23563866437648e-10 2.30348938213968e-09 1.693409364118215e-10 ] [ -3.968538617893114e-09 -7.21629290153864e-09 3.533778058343985e-09 ] [ -4.752551570739276e-09 -2.772069647106628e-09 -1.455697302808036e-09 ] [ 3.591229708700941e-09 2.420824466528644e-09 2.486407643889147e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.458248 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.841255258092836e-18 } }