{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.441900000000001e-10 0.0 0.0 ] "source-value" [ 5.4419 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.61794e-11 5.44502e-10 0.0 ] "source-value" [ 0.361794 5.44502 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.66443e-12 2.98499e-11 5.53333e-10 ] "source-value" [ 0.0366443 0.298499 5.53333 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 8.966013486695127e-09 -6.192648800225906e-09 1.587308726172534e-08 ] [ -1.205423856355461e-09 -1.197810473271082e-09 3.491634724945786e-10 ] [ -8.095546923172934e-10 -7.055084934089324e-09 -7.615009293649631e-10 ] [ 6.160644200701791e-09 8.557138814155278e-10 2.138035486427582e-09 ] [ -2.112269922882524e-09 3.74896383680104e-09 1.10332659315394e-09 ] [ -1.107410669534489e-08 1.016776867902428e-08 -1.036821138843439e-08 ] [ -4.4007786331824e-10 -1.953146387216868e-09 -2.221669586686328e-09 ] [ 5.14775342821488e-10 1.626244357779996e-09 -6.112230909315753e-09 ] ] "source-value" [ [ 5.5961454999999996 -3.8651473999999997 9.907201899999999 ] [ -0.7523663999999999 -0.7476144999999998 0.21793069999999998 ] [ -0.5052842999999999 -4.403437699999999 -0.4752914999999999 ] [ 3.8451716999999994 0.5340945999999999 1.3344567999999999 ] [ -1.3183751999999997 2.3399191999999998 0.6886422999999999 ] [ -6.911913799999999 6.346222099999999 -6.471328599999999 ] [ -0.27467499999999995 -1.2190580999999998 -1.3866570999999999 ] [ 0.32129749999999996 1.0150218999999998 -3.8149544999999994 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.353442625187467e-18 "source-value" -33.413561 } }