{ "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" [ 5.39198 0 0 ] "si-unit" "m" "si-value" [ 5.39198e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0815956 5.53401 0 ] "si-unit" "m" "si-value" [ 8.15956e-12 5.534010000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.109849 -0.0410552 5.55668 ] "si-unit" "m" "si-value" [ -1.09849e-11 -4.10552e-12 5.55668e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0600222 -0.0188866 -0.0475744 ] [ 1.35953 1.30974 1.45574 ] [ -0.0201429 2.70129 2.75612 ] [ 1.43727 3.87805 4.08993 ] [ 2.67575 -0.0837777 2.76281 ] [ 3.98871 1.3119 4.2787 ] [ 2.73779 2.77507 0.256836 ] [ 4.26747 4.05038 1.42682 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.00222e-12 -1.88866e-12 -4.75744e-12 ] [ 1.35953e-10 1.30974e-10 1.45574e-10 ] [ -2.01429e-12 2.70129e-10 2.75612e-10 ] [ 1.43727e-10 3.87805e-10 4.08993e-10 ] [ 2.67575e-10 -8.37777e-12 2.76281e-10 ] [ 3.98871e-10 1.3119e-10 4.2787e-10 ] [ 2.73779e-10 2.77507e-10 2.56836e-11 ] [ 4.26747e-10 4.05038e-10 1.42682e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.0149121000000005 -1.3404128000000002 0.7117785000000001 ] [ -0.5270313000000001 -0.21786280000000005 -0.5505748000000001 ] [ 0.4879055000000001 -1.7449998000000004 1.4237645000000003 ] [ -0.21919950000000005 1.6883494000000003 0.9165804000000002 ] [ 0.5509568000000001 -0.5996033000000001 0.6517287000000002 ] [ -1.0684503000000003 1.1834779000000002 -1.1056364000000003 ] [ 0.27871150000000006 -0.7684173000000002 -1.4422528000000001 ] [ -1.5178048000000004 1.7994687000000005 -0.6053881000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.228245059587033e-09 -2.147578050381067e-09 1.140394871888093e-09 ] [ -8.443972272898312e-10 -3.490546847020264e-10 -8.821180725616361e-10 ] [ 7.817107852597346e-10 -2.795797882860676e-09 2.281122195425002e-09 ] [ -3.511963141910496e-10 2.705033936421708e-09 1.468523687963513e-09 ] [ 8.827301040307817e-10 -9.606703890145287e-10 1.044184486244377e-09 ] [ -1.711846091146747e-09 1.896140622613481e-09 -1.771424791185478e-09 ] [ 4.465450492480993e-10 -1.23114023307826e-09 -2.310743717443338e-09 ] [ -2.431791365498021e-09 2.88306668100137e-09 -9.699386603305328e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.963862 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.762045889007753e-18 } }