{ "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" [ [ 2.072399 2.177963 4.557602 ] [ 2.377271 3.879759 3.040396 ] [ 5.261436 0.7705425 2.642102 ] [ 4.650297 3.074511 2.607434 ] [ 3.240336 1.703827 1.872622 ] [ 3.483569 0.4560924 3.818111 ] [ 3.60342 3.885532 5.130911 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.072399e-10 2.177963e-10 4.557602e-10 ] [ 2.377271e-10 3.879759e-10 3.040396e-10 ] [ 5.261436e-10 7.705425e-11 2.642102e-10 ] [ 4.650297000000001e-10 3.074511e-10 2.607434e-10 ] [ 3.240336e-10 1.703827e-10 1.872622e-10 ] [ 3.483569e-10 4.560924000000001e-11 3.818111e-10 ] [ 3.60342e-10 3.885532e-10 5.130911000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2200154 -0.3263191 0.4696983 ] [ 0.6301638 -0.2465634 -0.2201161 ] [ 1.6894721 0.4739215 -0.6565686 ] [ 1.8350371 2.886987 1.4340223 ] [ -2.4075647 -1.1173913 -1.3521987 ] [ -2.0543962 -1.2685018 1.6001611 ] [ 0.0872724 -0.4021329 -1.2749982 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.525035300959603e-10 -5.228208329404972e-10 7.525396350895047e-10 ] [ 1.009633707634487e-09 -3.950381150249587e-10 -3.526648692816749e-10 ] [ 2.706832700113879e-09 7.593059473944672e-10 -1.051938860871387e-09 ] [ 2.940053539920632e-09 4.62546307595353e-09 2.297557002765844e-09 ] [ -3.857343875403366e-09 -1.790258217145319e-09 -2.166461143816153e-09 ] [ -3.291505561500361e-09 -2.032363927402717e-09 2.563740703933611e-09 ] [ 1.398257989211059e-10 -6.442879308345043e-10 -2.042772307602083e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.97549 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.360643968782419e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1930015 2.2818002 4.6986771 ] [ 2.5391281 3.4204756 2.6445901 ] [ 5.062778 1.2695138 2.6537447 ] [ 4.8745601 3.5398045 3.0534494 ] [ 2.9176064 1.3442017 1.6738412 ] [ 3.1724918 0.3827277 3.8135063 ] [ 3.9291622 3.7097033 5.1313691 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1930015e-10 2.2818002e-10 4.698677100000001e-10 ] [ 2.5391281e-10 3.4204756e-10 2.6445901e-10 ] [ 5.062778e-10 1.2695138e-10 2.6537447e-10 ] [ 4.8745601e-10 3.5398045e-10 3.0534494e-10 ] [ 2.9176064e-10 1.3442017e-10 1.6738412e-10 ] [ 3.1724918e-10 3.827277e-11 3.8135063e-10 ] [ 3.9291622e-10 3.7097033e-10 5.1313691e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.45e-05 2.28e-05 -7.7e-06 ] [ 4.4e-06 -1.9e-05 1e-07 ] [ -1.59e-05 2.94e-05 2.12e-05 ] [ -8e-07 9.7e-06 2.24e-05 ] [ -1.24e-05 -7e-06 -2.2e-06 ] [ 4.4e-06 6.3e-06 1e-07 ] [ 5.7e-06 -4.22e-05 -3.39e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.32315610016e-14 3.652962695424e-14 -1.233675998016e-14 ] [ 7.04957713152e-15 -3.04413557952e-14 1.6021766208e-16 ] [ -2.547460827072e-14 4.710399265152e-14 3.396614436096001e-14 ] [ -1.28174129664e-15 1.554111322176e-14 3.588875630592e-14 ] [ -1.986699009792e-14 -1.12152363456e-14 -3.52478856576e-15 ] [ 7.04957713152e-15 1.009371271104e-14 1.6021766208e-16 ] [ 9.13240673856e-15 -6.761185339776e-14 -5.431378744512e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.704295 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.637629064074633e-18 } }