{ "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" [ [ 2.2228569999999994 -1.5420189999999998 4.535939999999999 ] [ -0.6515686999999999 -0.7209243999999999 0.41829949999999994 ] [ 0.5755584999999999 -3.5263112999999997 -2.2563075999999995 ] [ 3.2724655999999994 -0.41610339999999996 1.6115482999999997 ] [ -1.2508110999999997 1.8461667999999998 0.47831499999999993 ] [ -3.4151156999999994 3.4607754999999996 -1.1638818999999998 ] [ -0.7822756999999999 -0.7258320999999999 -1.1779800999999999 ] [ 0.028890199999999998 1.6242479999999997 -2.4459332999999996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.561409516781625e-09 -2.470586790629395e-09 7.267377021351551e-09 ] [ -1.043928137985049e-09 -1.155048219044267e-09 6.701896793923296e-10 ] [ 9.221463726027167e-10 -5.649773522522854e-09 -3.615003286053358e-09 ] [ 5.243067876692244e-09 -6.666711393153906e-10 2.581985009549984e-09 ] [ -2.004020301457131e-09 2.957885285057149e-09 7.663451103779519e-10 ] [ -5.471618531867026e-09 5.544773595937431e-09 -1.864744369552283e-09 ] [ -1.253343837559955e-09 -1.162911221246167e-09 -1.887332175987646e-09 ] [ 4.628720301023616e-11 2.602332171981158e-09 -3.918817149296192e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.912458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.831198115346193e-18 } }