{ "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" [ [ 2.464863 1.11645 1.673921 ] [ 1.905798 2.509771 3.967609 ] [ 1.228636 3.135192 1.685921 ] [ 4.446536 2.449344 1.565667 ] [ 4.18286 2.007242 3.638636 ] [ 3.206224 4.029955 3.010958 ] [ 5.270591 3.951163 3.865389 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.464863e-10 1.11645e-10 1.673921e-10 ] [ 1.905798e-10 2.509771000000001e-10 3.967609e-10 ] [ 1.228636e-10 3.135192e-10 1.685921e-10 ] [ 4.446536e-10 2.449344e-10 1.565667e-10 ] [ 4.18286e-10 2.007242e-10 3.638636e-10 ] [ 3.206224e-10 4.029955e-10 3.010958e-10 ] [ 5.270591e-10 3.951163e-10 3.865389e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.6329803 8.2876137 4.6109943 ] [ 3.6541972 -1.0743738 -6.8138754 ] [ 7.1571545 -2.9856157 5.7151762 ] [ -5.0421689 3.0143245 -0.9859084 ] [ -6.9645777 2.1603174 3.2227254 ] [ 0.8208837 -7.2703263 -3.5272333 ] [ -2.2584693 -2.1319398 -2.2218788 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.21849947968697e-09 1.327822091236178e-08 7.387627266102061e-09 ] [ 5.854669321632823e-09 -1.721336584360055e-09 -1.091703186292425e-08 ] [ 1.146702561135351e-08 -4.783483673233426e-09 9.156721691392586e-09 ] [ -8.078445129704854e-09 4.829480241404649e-09 -1.579599388730335e-09 ] [ -1.115848356468504e-08 3.461210031787442e-09 5.163375291138328e-09 ] [ 1.315200672535801e-09 -1.164834682344737e-08 -5.651250729367232e-09 ] [ -3.618466711254541e-09 -3.415744104513028e-09 -3.559842267611159e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -37.549329 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.016065705052745e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.728156 1.6587501 1.9438201 ] [ 1.8190533 2.3530863 3.8460285 ] [ 1.137295 3.1900405 1.9075679 ] [ 4.7380088 2.5493567 1.7415576 ] [ 3.9849838 1.9397589 3.7386337 ] [ 3.1269923 3.7173393 2.7016857 ] [ 5.1710188 3.7907851 3.5288074 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.728156e-10 1.6587501e-10 1.9438201e-10 ] [ 1.8190533e-10 2.3530863e-10 3.8460285e-10 ] [ 1.137295e-10 3.1900405e-10 1.9075679e-10 ] [ 4.7380088e-10 2.5493567e-10 1.7415576e-10 ] [ 3.9849838e-10 1.9397589e-10 3.7386337e-10 ] [ 3.1269923e-10 3.7173393e-10 2.7016857e-10 ] [ 5.1710188e-10 3.7907851e-10 3.5288074e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0002804 -8.9e-06 -1.51e-05 ] [ 0.0002599 3.06e-05 -8.95e-05 ] [ 4.84e-05 -0.0001027 -2.44e-05 ] [ 7.16e-05 6.6e-06 -6.77e-05 ] [ 7.1e-06 1.24e-05 9.04e-05 ] [ -4.5e-05 0.0001074 -8e-07 ] [ -6.17e-05 -4.54e-05 0.0001071 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.4925032447232e-13 -1.425937192512e-14 -2.419286697408e-14 ] [ 4.164057037459199e-13 4.902660459647999e-14 -1.433948075616e-13 ] [ 7.754534844671999e-14 -1.6454353895616e-13 -3.909310954752e-14 ] [ 1.1471584604928e-13 1.057436569728e-14 -1.0846735722816e-13 ] [ 1.137545400768e-14 1.986699009792e-14 1.4483676652032e-13 ] [ -7.209794793600001e-14 1.7207376907392e-13 -1.28174129664e-15 ] [ -9.885429750336e-14 -7.273881858432e-14 1.7159311608768e-13 ] ] } "relaxed-potential-energy" { "source-value" -49.241665 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.889384443226563e-18 } }