{ "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" [ [ 2.1578033999999997 -1.4221271999999998 4.620840799999999 ] [ -0.8533143999999999 -0.45658989999999994 0.5018558999999999 ] [ 0.7514737999999999 -3.6245999999999996 -1.7709747999999998 ] [ 3.5786511999999995 -0.7858928999999999 1.4043717999999998 ] [ -1.5009339999999998 1.9994552999999997 0.39782169999999994 ] [ -3.7174517999999996 3.6118282999999995 -1.3012772999999997 ] [ -0.5472085999999999 -0.7017068999999999 -1.2984815999999997 ] [ 0.13098029999999997 1.3796332999999998 -2.5541564999999995 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.45718215976275e-09 -2.278498951643765e-09 7.403403098198768e-09 ] [ -1.367160381871979e-09 -7.315376630734098e-10 8.040617899905427e-10 ] [ 1.203993753503735e-09 -5.80724937975168e-09 -2.837414420585956e-09 ] [ 5.733631286637864e-09 -1.259139230832712e-09 2.250051664870813e-09 ] [ -2.404761364163827e-09 3.20348053599465e-09 6.373806269869112e-10 ] [ -5.956014362910877e-09 5.786786860603808e-09 -2.084876067237747e-09 ] [ -8.767248256206989e-10 -1.124258389834043e-09 -2.080396862058977e-09 ] [ 2.098535744453702e-10 2.210416218537153e-09 -4.092209830164355e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.402052 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.268769073074588e-18 } }