{ "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" [ [ 2.221555 1.50122 1.826509 ] [ 1.576881 2.934657 3.026633 ] [ 2.584327 1.716088 4.47164 ] [ 2.903501 3.607036 1.073051 ] [ 4.2877 3.061946 5.191695 ] [ 4.423391 1.863673 3.155042 ] [ 3.612063 4.220863 3.087476 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.221555e-10 1.50122e-10 1.826509e-10 ] [ 1.576881e-10 2.934657e-10 3.026633e-10 ] [ 2.584327e-10 1.716088e-10 4.47164e-10 ] [ 2.903501e-10 3.607036e-10 1.073051e-10 ] [ 4.2877e-10 3.061946e-10 5.191695e-10 ] [ 4.423391e-10 1.863673e-10 3.155042e-10 ] [ 3.612063e-10 4.220863e-10 3.087476e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.2068477 -3.8854427 -5.7368396 ] [ -7.6346763 4.1493659 5.2995512 ] [ 3.0976741 0.1596546 2.8911378 ] [ 2.3665993 0.264915 -0.6064071 ] [ -1.1842851 -2.0543562 -2.0729397 ] [ 0.0826084 0.6973752 1.8073172 ] [ 1.0652319 0.6684883 -1.5818198 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.535759790606253e-09 -6.225165455398029e-09 -9.191430284399623e-09 ] [ -1.223209987523585e-08 6.648017036124751e-09 8.490817033372585e-09 ] [ 4.963021021877681e-09 2.557948675231757e-10 4.632113390671147e-09 ] [ 3.791710069261645e-09 4.24440619499232e-10 -9.715712783071276e-10 ] [ -1.89743389958179e-09 -3.291441474435529e-09 -3.321215523668166e-09 ] [ 1.323532471616947e-10 1.117318241365724e-09 2.895641364209718e-09 ] [ 1.706689645910363e-09 1.071036325538337e-09 -2.534354701878532e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.1058438 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.458917004901663e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5360017 2.0457505 1.4034059 ] [ 0.6798754 1.637514 3.3908359 ] [ 1.9685737 2.1648147 5.0996555 ] [ 3.2214937 3.4508477 1.1925447 ] [ 4.1393309 2.4747171 4.8698226 ] [ 5.7791416 2.2156006 3.4293113 ] [ 4.2850011 4.9162383 2.4464702 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5360017e-10 2.0457505e-10 1.4034059e-10 ] [ 6.798754e-11 1.637514e-10 3.3908359e-10 ] [ 1.9685737e-10 2.1648147e-10 5.0996555e-10 ] [ 3.2214937e-10 3.4508477e-10 1.1925447e-10 ] [ 4.1393309e-10 2.4747171e-10 4.8698226e-10 ] [ 5.7791416e-10 2.2156006e-10 3.4293113e-10 ] [ 4.2850011e-10 4.9162383e-10 2.4464702e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.1801776 0.2629297 -0.2595938 ] [ -0.1596154 -0.0867752 0.2624019 ] [ 0.2820519 -0.0840264 -0.0540988 ] [ -0.1006528 0.0407582 0.0706316 ] [ -0.3952552 -0.0454694 0.2635545 ] [ 0.2004258 0.0357233 -0.0029575 ] [ -0.0071318 -0.1231402 -0.2799379 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.886763383118541e-10 4.212598182539577e-10 -4.15915117264631e-10 ] [ -2.557320621996403e-10 -1.390291967052441e-10 4.204141894334996e-10 ] [ 4.518969600322195e-10 -1.346251336099891e-10 -8.667583257333505e-11 ] [ -1.612635629780582e-10 6.530183514589057e-11 1.131642982096973e-10 ] [ -6.332686406896282e-10 -7.285000964180353e-11 4.222608582066337e-10 ] [ 3.211175309651366e-10 5.723503607782464e-11 -4.738437356016e-12 ] [ -1.142640322422144e-11 -1.972923495206362e-10 -4.485099586558484e-10 ] ] } "relaxed-potential-energy" { "source-value" -15.699537 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.515343113878457e-18 } }