{ "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" [ [ -25.1763135 -55.459282 20.9082054 ] [ -16.7605745 -9.0468078 -62.5650074 ] [ 61.9919901 -8.4658986 -7.0112111 ] [ 97.7568134 59.3490886 12.5492274 ] [ -107.8130728 11.1639865 -28.1777195 ] [ -39.9071256 -22.7951872 35.6428067 ] [ 29.9082829 25.2541005 28.6536984 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.033690088763142e-08 -8.885556502675426e-08 3.349863787476431e-08 ] [ -2.685340061507665e-08 -1.449458395003108e-08 -1.00240192136459e-07 ] [ 9.932211721508506e-08 -1.356386481098345e-08 -1.123319850791345e-08 ] [ 1.566236809533882e-07 9.508772222070781e-08 2.010607874938277e-08 ] [ -1.727355846567684e-07 1.788667816522682e-08 -4.514568341036026e-08 ] [ -6.393826363964917e-08 -3.652191599859941e-08 5.71060715944336e-08 ] [ 4.791835163065243e-08 4.04615294004336e-08 4.590828567593437e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 47.885352 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.672079145317852e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9500147 2.1074954 5.0799558 ] [ 2.0375125 3.7629375 2.8258115 ] [ 5.5704604 0.8808898 3.0375244 ] [ 5.0405693 3.5969833 2.5380195 ] [ 3.0452148 1.615573 1.3512803 ] [ 2.9441745 0.0431423 3.668307 ] [ 4.1007818 3.9412056 5.1682796 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9500147e-10 2.1074954e-10 5.0799558e-10 ] [ 2.0375125e-10 3.7629375e-10 2.8258115e-10 ] [ 5.5704604e-10 8.808898e-11 3.0375244e-10 ] [ 5.0405693e-10 3.5969833e-10 2.5380195e-10 ] [ 3.0452148e-10 1.615573e-10 1.3512803e-10 ] [ 2.9441745e-10 4.314230000000001e-12 3.668307e-10 ] [ 4.1007818e-10 3.9412056e-10 5.1682796e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.53e-05 2.86e-05 -1.7e-06 ] [ -5.41e-05 -1.41e-05 -2.41e-05 ] [ -1.02e-05 -1.37e-05 -1.96e-05 ] [ 2.5e-06 -4.6e-06 4e-06 ] [ 3.41e-05 8.9e-06 -8.7e-06 ] [ -1.92e-05 -3.2e-05 1e-07 ] [ 1.15e-05 2.7e-05 5e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.655683471424e-14 4.582225135488e-14 -2.72370025536e-15 ] [ -8.667775518528e-14 -2.259069035328e-14 -3.861245656128e-14 ] [ -1.634220153216e-14 -2.194981970496e-14 -3.140266176767999e-14 ] [ 4.005441552e-15 -7.370012455680001e-15 6.4087064832e-15 ] [ 5.463422276928e-14 1.425937192512e-14 -1.393893660096e-14 ] [ -3.076179111936e-14 -5.12696518656e-14 1.6021766208e-16 ] [ 1.84250311392e-14 4.32587687616e-14 8.010883104e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.040917 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.050691205599327e-18 } }