{ "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" [ [ 6.917954797332715e-09 -4.835991967844567e-09 1.253419428252924e-08 ] [ -3.854182620712866e-09 2.065379019721571e-09 4.483799260013042e-09 ] [ 3.379096236924173e-09 -1.143905881734914e-08 -6.465430905588775e-09 ] [ 8.21943875516486e-09 2.233195485078701e-10 3.060825132943549e-09 ] [ -3.340335739243131e-09 4.269987508225986e-09 1.013881077856228e-09 ] [ -9.269247522218895e-09 8.957056678514207e-09 -5.967691026123269e-09 ] [ -2.005023744674738e-09 -1.815707671243092e-09 -2.413893130031739e-09 ] [ -4.770032278978176e-11 2.575015701467166e-09 -6.245684691598275e-09 ] ] "source-value" [ [ 4.317847799999999 -3.0183887999999994 7.823228799999999 ] [ -2.4055915999999997 1.2891081999999998 2.7985673999999996 ] [ 2.1090659999999994 -7.139698999999999 -4.035404599999999 ] [ 5.130170199999999 0.13938509999999998 1.9104167999999997 ] [ -2.0848735999999994 2.6651165999999997 0.6328147999999999 ] [ -5.7854092999999995 5.5905550999999996 -3.7247397999999996 ] [ -1.2514373999999997 -1.1332755999999997 -1.5066335999999998 ] [ -0.029772199999999995 1.6071983999999997 -3.8982497999999994 ] ] } "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" -5.039709366049936e-18 "source-value" -31.455392 } }