{ "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" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.971858 1.613185 3.540739 ] [ 1.980532 3.696797 1.101352 ] [ 1.421419 3.841396 3.166588 ] [ 2.933735 5.314328 3.389927 ] [ 3.610376 2.128489 1.767833 ] [ 4.452161 4.502678 1.60274 ] [ 4.038762 3.260824 3.402783 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.971858e-10 1.613185e-10 3.540739e-10 ] [ 1.980532e-10 3.696797e-10 1.101352e-10 ] [ 1.421419e-10 3.841396e-10 3.166588e-10 ] [ 2.933735e-10 5.314328e-10 3.389927e-10 ] [ 3.610376e-10 2.128489e-10 1.767833e-10 ] [ 4.452161e-10 4.502678000000001e-10 1.60274e-10 ] [ 4.038762e-10 3.260824e-10 3.402783e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.5742975 -6.1902855 2.6929846 ] [ -3.3982305 2.5309123 -10.9352006 ] [ -20.4150265 1.9247262 8.1859043 ] [ 2.4533915 9.3214558 1.4545443 ] [ 3.0779019 -14.719306 -12.6429079 ] [ 5.8403527 6.7924189 -6.6556771 ] [ 16.0159083 0.3400782 17.9003524 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.726655890283888e-09 -9.917930704177238e-09 4.31463696629444e-09 ] [ -5.444565459189495e-09 4.054968516355155e-09 -1.752012274507814e-08 ] [ -3.270847817131245e-08 3.083751319081225e-09 1.311526448956619e-08 ] [ 3.930766502969443e-09 1.493461855458056e-08 2.330436871377901e-09 ] [ 4.9313424652959e-09 -2.358292794760117e-08 -2.025617145630763e-08 ] [ 9.357276553166157e-09 1.088265476026005e-08 -1.066357024521394e-08 ] [ 2.566031383913667e-08 5.448653412837466e-10 2.867952611936117e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 15.58153 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.496436308229383e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1320825 2.0376538 4.0110224 ] [ 2.5780467 3.1833548 0.2047197 ] [ 0.7907991 3.5084419 3.836216 ] [ 3.3516393 5.9895424 3.2308048 ] [ 3.2355657 1.6529517 1.0255741 ] [ 4.1952934 5.4075266 1.666112 ] [ 4.1254163 2.5782259 3.997513 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1320825e-10 2.0376538e-10 4.0110224e-10 ] [ 2.5780467e-10 3.1833548e-10 2.047197e-11 ] [ 7.907991e-11 3.5084419e-10 3.836216e-10 ] [ 3.3516393e-10 5.989542400000001e-10 3.2308048e-10 ] [ 3.2355657e-10 1.6529517e-10 1.0255741e-10 ] [ 4.1952934e-10 5.4075266e-10 1.666112e-10 ] [ 4.1254163e-10 2.5782259e-10 3.997513e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.3994953 -0.30133 0.754262 ] [ 0.3890744 0.3112803 -0.4599238 ] [ 0.7924796 -0.1461439 0.2333695 ] [ -0.073631 -0.1876362 -0.1818974 ] [ -0.0286339 -0.2171111 0.0461201 ] [ 0.0039934 0.4362346 -0.0908031 ] [ -0.6837873 0.1047063 -0.3011273 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.400620297794822e-10 -4.827838811456639e-10 1.20846094235785e-09 ] [ 6.233659074317875e-10 4.987260191756102e-10 -7.368791597094951e-10 ] [ 1.269692287580936e-09 -2.341483398525331e-10 3.738991569077856e-10 ] [ -1.179698667661248e-10 -3.006263328557529e-10 -2.914317616643059e-10 ] [ -4.587656514232512e-11 -3.478503285361709e-10 7.389254596895808e-11 ] [ 6.39813211750272e-12 6.989248773040396e-10 -1.454826039161645e-10 ] [ -1.095548025659956e-09 1.67757985910471e-10 -4.824591199446278e-10 ] ] } "relaxed-potential-energy" { "source-value" -34.442068 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.518227612160381e-18 } }