{ "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" [ 5.42631 0 0 ] "si-unit" "m" "si-value" [ 5.42631e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0419811 5.40206 0 ] "si-unit" "m" "si-value" [ -4.19811e-12 5.40206e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.291495 -0.184222 5.7849 ] "si-unit" "m" "si-value" [ -2.91495e-11 -1.84222e-11 5.7849e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.101951 0.0451697 -0.178669 ] [ 1.35762 1.34832 0.905447 ] [ 0.453616 2.71025 3.0057 ] [ 1.36179 4.05856 4.06079 ] [ 2.63302 -0.145655 3.08939 ] [ 4.07266 1.35506 3.53695 ] [ 2.85903 2.69843 0.171649 ] [ 4.20927 3.69056 1.74197 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.01951e-11 4.51697e-12 -1.78669e-11 ] [ 1.35762e-10 1.34832e-10 9.05447e-11 ] [ 4.53616e-11 2.71025e-10 3.0057e-10 ] [ 1.36179e-10 4.05856e-10 4.06079e-10 ] [ 2.63302e-10 -1.45655e-11 3.08939e-10 ] [ 4.07266e-10 1.35506e-10 3.53695e-10 ] [ 2.85903e-10 2.69843e-10 1.71649e-11 ] [ 4.20927e-10 3.69056e-10 1.74197e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.7599213 -0.9989381 -1.5818291 ] [ 1.3407262 0.4459391 2.9004584 ] [ -2.9049936 -9.6763274 -12.3106274 ] [ -3.6516704 5.3972327 17.0047718 ] [ 6.3496135 0.7683239 -17.1669713 ] [ -0.9729241 3.0287878 9.6126757 ] [ 3.1815035 -1.9533618 1.2039439 ] [ -5.1021764 2.9883439 0.3375781 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.819704761307943e-09 -1.600475269446373e-09 -2.534369602121105e-09 ] [ 2.148080172534025e-09 7.144732003205933e-10 4.647046638082975e-09 ] [ -4.654312829493627e-09 -1.550318553548645e-08 -1.972379940765989e-08 ] [ -5.850620941747384e-09 8.64732004895726e-09 2.724464781999914e-08 ] [ 1.017320230081606e-08 1.230990589781877e-09 -2.750452006680458e-08 ] [ -1.558796246832881e-09 4.852653002524266e-09 1.540120426987228e-08 ] [ 5.097330526693373e-09 -3.129630607923805e-09 1.928930769334773e-09 ] [ -8.17458774327751e-09 4.787854731490293e-09 5.408597395140845e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -18.863782 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.022311050026787e-18 } }