{ "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" [ [ 8.756874999999999 -7.326606399999999 14.350575499999998 ] [ -1.3994955999999998 -0.8189672999999998 1.0510857999999998 ] [ -0.8160748999999999 -9.448418799999999 -3.3276749999999997 ] [ 8.427699099999998 1.8808660999999998 4.515646499999999 ] [ -2.6044683999999996 3.4723239999999995 1.0063262999999998 ] [ -11.449760599999998 9.904639299999998 -8.181956699999999 ] [ -1.0800808999999998 -1.5995896999999997 -2.8611862999999995 ] [ 0.16530629999999996 3.9357528999999998 -6.552816199999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.4030060396268e-08 -1.173851748388365e-08 2.299215656112527e-08 ] [ -2.242239131232468e-09 -1.3121302612597e-09 1.684025095214864e-09 ] [ -1.307496125601698e-09 -1.513803570488719e-08 -5.331523086620639e-09 ] [ 1.35026624651572e-08 3.013479692275275e-09 7.234863250097346e-09 ] [ -4.172818380092382e-09 5.563276332642738e-09 1.612312470756167e-09 ] [ -1.834453874707698e-08 1.586898152391688e-08 -1.310893973713792e-08 ] [ -1.730480366552622e-09 -2.562825220212485e-09 -4.584125797613255e-09 ] [ 2.64849889130951e-10 6.3057712816258e-09 -1.049876891603949e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -29.296904 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.693881465062201e-18 } }