{ "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" [ 5.44972 0 0 ] "si-unit" "m" "si-value" [ 5.44972e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0609808 5.45304 0 ] "si-unit" "m" "si-value" [ -6.09808e-12 5.45304e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0674249 -0.145247 5.63878 ] "si-unit" "m" "si-value" [ -6.742489999999999e-12 -1.45247e-11 5.63878e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00897115 -0.00389651 -0.0378043 ] [ 1.32076 1.2724 1.76049 ] [ 0.246678 2.71711 2.69984 ] [ 1.36622 4.37217 4.08545 ] [ 2.70002 -0.0778066 3.30264 ] [ 4.02111 1.29847 4.36135 ] [ 2.82584 3.00896 0.436415 ] [ 4.07612 3.84466 1.60166 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.971150000000001e-13 -3.89651e-13 -3.78043e-12 ] [ 1.32076e-10 1.2724e-10 1.76049e-10 ] [ 2.46678e-11 2.71711e-10 2.69984e-10 ] [ 1.36622e-10 4.37217e-10 4.08545e-10 ] [ 2.70002e-10 -7.780660000000001e-12 3.30264e-10 ] [ 4.02111e-10 1.29847e-10 4.36135e-10 ] [ 2.82584e-10 3.00896e-10 4.36415e-11 ] [ 4.076120000000001e-10 3.84466e-10 1.60166e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.1835047000000003 -0.9997178000000002 2.2116796000000005 ] [ 11.216050500000001 -11.882538700000001 -9.265508700000002 ] [ -11.056497700000001 14.812266400000004 10.630758500000002 ] [ -53.761021700000015 -44.287344000000004 33.287924200000006 ] [ 51.38932240000001 41.43754650000001 -35.295030700000005 ] [ -0.023390900000000003 2.1908614000000006 -0.07486850000000002 ] [ -30.027692200000008 -23.086387700000003 -29.248479000000007 ] [ 30.079725000000007 21.815314000000004 27.753524500000008 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.49836021056918e-09 -1.601724499753885e-09 3.543501377014467e-09 ] [ 1.797009403686402e-08 -1.903792585774074e-08 -1.484498154126372e-08 ] [ -1.771446226881474e-08 2.37318671226633e-08 1.703235287039689e-08 ] [ -8.613465278770696e-08 -7.09561477387201e-08 5.333313434760315e-08 ] [ 8.233477158637282e-08 6.63902687725885e-08 -5.654887348385267e-08 ] [ -3.74763534282306e-11 3.510146943412528e-09 -1.19952561322629e-10 ] [ -4.810966681578406e-08 -3.698847093640501e-08 -4.686122963383969e-08 ] [ 4.819303255214566e-08 3.495198635417308e-08 4.446604846504654e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -14.040857 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.249593300673534e-18 } }