{ "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" [ [ 4.124362199999999 -3.0311358999999998 7.609807699999999 ] [ -2.0381831999999998 0.7115095999999999 2.2560982999999997 ] [ 1.7662241999999997 -6.587568799999999 -3.6782863999999997 ] [ 4.943299799999999 0.038174299999999994 1.9850062999999998 ] [ -1.9148253999999998 2.6284626999999996 0.8541935999999999 ] [ -5.650727999999999 5.385512899999999 -3.4397225999999996 ] [ -1.0455384999999997 -0.8993850999999999 -1.5316186999999999 ] [ -0.18461119999999998 1.7544303999999997 -4.055478199999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.607956746992833e-09 -4.85641511345856e-09 1.219225608617328e-08 ] [ -3.265529498851348e-09 1.139964055986686e-09 3.614667980267121e-09 ] [ 2.829803143645342e-09 -1.055444880622742e-08 -5.893264523239976e-09 ] [ 7.920039434416871e-09 6.116197147930618e-11 3.180330712202794e-09 ] [ -3.067888514069703e-09 4.211261521280551e-09 1.368569026832342e-09 ] [ -9.053464366689548e-09 8.628542930485577e-09 -5.511043177161728e-09 ] [ -1.675137354647408e-09 -1.440973792187753e-09 -2.453923693337456e-09 ] [ -2.957797510147007e-10 2.810907392859273e-09 -6.497592411736376e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -31.825233 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.098964468420572e-18 } }