{ "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" [ [ 0.1837152 1.359189 0.2246076 ] [ 1.439885 0.3143995 0.1278355 ] [ 1.736921 1.45075 1.267781 ] [ 2.492617 0.9019618 2.872525 ] [ 2.597932 2.758406 2.155931 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.837152e-11 1.359189e-10 2.246076e-11 ] [ 1.439885e-10 3.143995e-11 1.278355e-11 ] [ 1.736921e-10 1.45075e-10 1.267781e-10 ] [ 2.492617e-10 9.019618e-11 2.872525e-10 ] [ 2.597932e-10 2.758406e-10 2.155931e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.4449118 -11.7255649 -12.8404408 ] [ -12.6361035 16.2368587 3.6480731 ] [ -1.4131669 -12.6099962 -17.6110993 ] [ 8.3882688 -15.3456348 22.7106057 ] [ 9.1059133 23.4443372 4.0928613 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.519357146678045e-09 -1.878642594845309e-08 -2.057265405052645e-08 ] [ -2.024526960570906e-08 2.601431540437308e-08 5.84485743178938e-09 ] [ -2.264142968468412e-09 -2.020344110001684e-08 -2.821609156504724e-08 ] [ 1.343948816034607e-08 -2.458641730789488e-08 3.638640149674721e-08 ] [ 1.458928140029178e-08 3.756196895199173e-08 6.557486687037096e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 234.5851 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.758467628080301e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.2547582 0.9369489 -0.1094124 ] [ 1.3130575 0.9789695 0.4969549 ] [ 1.3130575 0.9789695 0.4969549 ] [ 2.7203451 0.4902519 3.4883918 ] [ 2.8498518 3.3995666 2.2757908 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.547582e-11 9.369489000000001e-11 -1.094124e-11 ] [ 1.3130575e-10 9.789695e-11 4.969549e-11 ] [ 1.3130575e-10 9.789695e-11 4.969549e-11 ] [ 2.7203451e-10 4.902519000000001e-11 3.4883918e-10 ] [ 2.849851800000001e-10 3.3995666e-10 2.2757908e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1072.9960824 41.4260593 612.8959814 ] [ -542.0147582 -7.408585300712504e+114 3.704292650356252e+114 ] [ -542.0147582 7.408585300712504e+114 -3.704292650356252e+114 ] [ 5.1061297 -6.3803239 12.3072448 ] [ 5.9273043 12.7436699 4.2271165 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.71912923743127e-06 6.637186370233441e-08 9.819676123813515e-07 ] [ -8.684033737166051e-07 -1.186986216200411e+106 5.934931081002056e+105 ] [ -8.684033737166051e-07 1.186986216200411e+106 -5.934931081002056e+105 ] [ 8.18092162811252e-09 -1.022240578571148e-08 1.971837988502237e-08 ] [ 9.496588373827309e-09 2.041760997697267e-08 6.772587229697924e-09 ] ] } "relaxed-potential-energy" { "source-value" -1.7135796e+98 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.745457172999816e+79 } }