{ "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" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.4624165 -5.295227 -3.9845506 ] [ -5.367067 -1.0357175 4.1056726 ] [ -0.8809063 7.9900532 -2.2832539 ] [ 4.1517434 0.3165155 -1.2991652 ] [ 1.3352286 3.7173318 3.9143155 ] [ -2.0181213 -2.93621 3.3947149 ] [ 4.241539 -2.756746 -3.8477333 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.343049526172163e-09 -8.483888901228922e-09 -6.383953815714612e-09 ] [ -8.598989269667192e-09 -1.659402364253424e-09 6.578012652379151e-09 ] [ -1.411367478975431e-09 1.280147643598823e-08 -3.658176017930421e-09 ] [ 6.651826211040703e-09 5.071137342208224e-10 -2.081492109996956e-09 ] [ 2.139272046343515e-09 5.955822101716382e-09 6.271424780535062e-09 ] [ -3.233386764798503e-09 -4.704327015759168e-09 5.438932847061409e-09 ] [ 6.795694622011412e-09 -4.416793990683918e-09 -6.164748336333632e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.9877175 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.279773423205502e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5873647 0.4081869 1.5979586 ] [ 1.7889996 1.8248648 3.2258856 ] [ 2.9383476 3.5783195 2.3465216 ] [ 5.0698143 2.8360706 2.6200633 ] [ 4.8344556 2.8221252 4.9089373 ] [ 3.4357886 1.0106464 4.6738384 ] [ 4.6489136 0.5351512 2.6113051 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5873647e-10 4.081869e-11 1.5979586e-10 ] [ 1.7889996e-10 1.8248648e-10 3.2258856e-10 ] [ 2.9383476e-10 3.5783195e-10 2.3465216e-10 ] [ 5.0698143e-10 2.836070600000001e-10 2.6200633e-10 ] [ 4.8344556e-10 2.8221252e-10 4.9089373e-10 ] [ 3.4357886e-10 1.0106464e-10 4.6738384e-10 ] [ 4.6489136e-10 5.351512000000001e-11 2.6113051e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.2e-05 -4.15e-05 -5.7e-06 ] [ -1.73e-05 3.81e-05 7.6e-06 ] [ 1.54e-05 9.8e-06 -2.31e-05 ] [ -2.45e-05 -1.15e-05 2.95e-05 ] [ -8e-06 -1.88e-05 -5.5e-06 ] [ 1.97e-05 -7.5e-06 1.79e-05 ] [ 2.67e-05 3.14e-05 -2.07e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.92261194496e-14 -6.64903297632e-14 -9.13240673856e-15 ] [ -2.771765553984e-14 6.104292925248e-14 1.217654231808e-14 ] [ 2.467351996032e-14 1.570133088384e-14 -3.701027994048e-14 ] [ -3.92533272096e-14 -1.84250311392e-14 4.72642103136e-14 ] [ -1.28174129664e-14 -3.012092047104e-14 -8.8119714144e-15 ] [ 3.156287942976e-14 -1.2016324656e-14 2.867896151232001e-14 ] [ 4.277811577536e-14 5.030834589312e-14 -3.316505605055999e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.23956 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.281429012247885e-18 } }