{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.256228 0.2353278 1.625271 ] [ 0.7175946 2.735818 1.079118 ] [ 2.902295 0.4260222 2.532348 ] [ 1.615511 1.481432 2.901286 ] [ 2.936652 2.941975 2.695922 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.256228e-10 2.353278e-11 1.625271e-10 ] [ 7.175946e-11 2.735818e-10 1.079118e-10 ] [ 2.902295e-10 4.260222e-11 2.532348e-10 ] [ 1.615511e-10 1.481432e-10 2.901286e-10 ] [ 2.936652e-10 2.941975e-10 2.695922e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -14.8628621 -13.6921647 -17.980871 ] [ -0.802239 0.9703835 -1.0940422 ] [ 30.1700255 -15.931948 0.7393842 ] [ -18.1493748 23.0158522 18.2191645 ] [ 3.6444504 5.6378769 0.1163645 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.381293017479439e-08 -2.193726617048304e-08 -2.880853113782072e-08 ] [ -1.285328570093971e-09 1.554725756910077e-09 -1.752848835008598e-09 ] [ 4.833770950503983e-08 -2.552579460940132e-08 1.184624079028911e-09 ] [ -2.907850398669668e-08 3.687546030262825e-08 2.919031941240933e-08 ] [ 5.839053226545209e-09 9.03287456012838e-09 1.864364813910816e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 7.0299894 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.126328466115182e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8807884 0.1302629 2.088602 ] [ -0.1986906 3.2341204 0.9708154 ] [ 3.5330435 -1.3116572 2.2339275 ] [ 1.4219782 2.2908113 2.1438353 ] [ 2.7911612 3.4770376 3.3967648 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8807884e-10 1.302629e-11 2.088602e-10 ] [ -1.986906e-11 3.2341204e-10 9.708154e-11 ] [ 3.5330435e-10 -1.3116572e-10 2.2339275e-10 ] [ 1.4219782e-10 2.2908113e-10 2.1438353e-10 ] [ 2.7911612e-10 3.4770376e-10 3.3967648e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0574207 0.4808114 -0.0240259 ] [ 0.7274612 -0.460145 0.5454615 ] [ 0.0247563 -0.1941378 -0.0071923 ] [ -0.87261 -0.1007929 -0.7224565 ] [ 0.1778133 0.2742642 0.2082132 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.199810308997055e-11 7.70344784094117e-10 -3.849373527367872e-11 ] [ 1.165521327179113e-09 -7.372335611780161e-10 8.739256628464993e-10 ] [ 3.966396507751103e-11 -3.110430443735463e-10 -1.152333490977984e-11 ] [ -1.398075341076288e-09 -1.614880279226323e-10 -1.157502913844995e-09 ] [ 2.848883121272966e-10 4.394196891624154e-10 3.335943211819545e-10 ] ] } "relaxed-potential-energy" { "source-value" -10.208485 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.635579600078749e-18 } }