{ "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" [ 5.4419 0 0 ] "si-unit" "m" "si-value" [ 5.441900000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.361794 5.44502 0 ] "si-unit" "m" "si-value" [ 3.61794e-11 5.44502e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0366443 0.298499 5.53333 ] "si-unit" "m" "si-value" [ 3.66443e-12 2.98499e-11 5.53333e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.128377 -0.150066 -0.170326 ] [ 1.39649 1.37402 1.31098 ] [ -0.0542726 2.97617 3.14736 ] [ 1.41657 4.24499 4.02908 ] [ 2.7363 -0.234712 2.6251 ] [ 4.24505 1.08558 3.99518 ] [ 2.94651 2.56191 -0.00354123 ] [ 4.33312 3.8007 1.43779 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.28377e-11 -1.50066e-11 -1.70326e-11 ] [ 1.39649e-10 1.37402e-10 1.31098e-10 ] [ -5.42726e-12 2.97617e-10 3.14736e-10 ] [ 1.41657e-10 4.24499e-10 4.02908e-10 ] [ 2.7363e-10 -2.34712e-11 2.6251e-10 ] [ 4.24505e-10 1.08558e-10 3.99518e-10 ] [ 2.94651e-10 2.56191e-10 -3.54123e-13 ] [ 4.33312e-10 3.8007e-10 1.43779e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.7200703999999996 -2.7631550999999996 7.232830999999999 ] [ -2.8570936999999996 1.2965891999999999 3.0546370999999994 ] [ 2.5719731999999995 -6.751717199999999 -4.686629199999999 ] [ 4.395735199999999 -0.33812319999999996 1.7661513999999998 ] [ -1.5849846999999997 2.5038189999999996 1.0328474999999997 ] [ -5.446475499999999 5.0746842999999995 -3.3035823999999994 ] [ -0.6564105999999998 -0.4750520999999999 -1.3133456999999997 ] [ -0.14281419999999997 1.4529550999999998 -3.7829096999999994 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.960209822610104e-09 -4.427062500864286e-09 1.158827273039748e-08 ] [ -4.577568729574968e-09 2.077364903021775e-09 4.894068146648311e-09 ] [ 4.120755330364162e-09 -1.081744344809324e-08 -7.508807734598605e-09 ] [ 7.04274416866761e-09 -5.417330859900825e-10 2.829686481873189e-09 ] [ -2.539425430665701e-09 4.011560264514835e-09 1.654804117351728e-09 ] [ -8.726215711859989e-09 8.130540543400813e-09 -5.292922486166353e-09 ] [ -1.0516857169653e-09 -7.611173682819436e-10 -2.10421177556821e-09 ] [ -2.288135723582553e-10 2.327890692292126e-09 -6.060889479937541e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -32.009271 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.128450564505144e-18 } }