{ "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" [ 5.45158 0 0 ] "si-unit" "m" "si-value" [ 5.45158e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0257054 5.42445 0 ] "si-unit" "m" "si-value" [ -2.57054e-12 5.424450000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0529382 0.0294769 5.34001 ] "si-unit" "m" "si-value" [ -5.29382e-12 2.94769e-12 5.34001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0143981 -0.000418648 -0.00412545 ] [ 1.32176 1.3194 1.55836 ] [ -0.0742391 2.6807 2.85755 ] [ 1.24493 4.07168 4.08922 ] [ 2.604 0.0471177 2.81384 ] [ 3.98318 1.33506 4.22092 ] [ 2.76065 2.8474 0.244257 ] [ 4.05568 4.10688 1.45974 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43981e-12 -4.18648e-14 -4.12545e-13 ] [ 1.32176e-10 1.3194e-10 1.55836e-10 ] [ -7.42391e-12 2.6807e-10 2.85755e-10 ] [ 1.24493e-10 4.07168e-10 4.08922e-10 ] [ 2.604e-10 4.71177e-12 2.81384e-10 ] [ 3.98318e-10 1.33506e-10 4.22092e-10 ] [ 2.76065e-10 2.8474e-10 2.44257e-11 ] [ 4.05568e-10 4.10688e-10 1.45974e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1533492 -0.2979219 2.4835332 ] [ -0.7699339 1.4825124 -2.0865133 ] [ -0.6536126 -0.0930177 -0.6263032 ] [ 1.048227 -0.1722561 0.6997556 ] [ 1.7686877 -1.2803272 0.6055283 ] [ -0.7477558 1.410477 -0.893752 ] [ -2.0157914 -2.4755592 -1.6614872 ] [ 1.2168298 1.4260927 1.4792386 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.456925050825927e-10 -4.773235069368845e-10 3.979058862803249e-09 ] [ -1.233570104304493e-09 2.375246726895261e-09 -3.342962855790232e-09 ] [ -1.047202835407988e-09 -1.490307854884218e-10 -1.003448352839429e-09 ] [ 1.679444806527918e-09 -2.759846984839673e-10 1.12113207183065e-09 ] [ 2.833750105783202e-09 -2.051310323714645e-09 9.701632934857423e-10 ] [ -1.198036870697977e-09 2.259833292194418e-09 -1.431948570990768e-09 ] [ -3.229653880098147e-09 -3.966283106323733e-09 -2.661995969530085e-09 ] [ 1.949576273114893e-09 2.284852401857972e-09 2.370001521030872e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.238079 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.805980343484608e-18 } }