{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.302275 0.3737398 2.647818 ] [ 0.2826825 1.480501 1.727575 ] [ 0.6414777 2.53008 2.452953 ] [ 2.763361 0.4669357 0.177905 ] [ 2.062003 2.101671 0.3497139 ] [ 2.601995 2.989286 1.853157 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.302275e-10 3.737398e-11 2.647818e-10 ] [ 2.826825e-11 1.480501e-10 1.727575e-10 ] [ 6.414777000000001e-11 2.53008e-10 2.452953e-10 ] [ 2.763361e-10 4.669357e-11 1.77905e-11 ] [ 2.062003e-10 2.101671e-10 3.497139e-11 ] [ 2.601995e-10 2.989286e-10 1.853157e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 14.8956608 -17.5887427 12.4129901 ] [ -50.7335279 -88.1793828 -83.9863994 ] [ 31.3751438 104.0694691 72.9581103 ] [ 8.5119399 -20.4378841 -1.1031085 ] [ -13.5062529 11.7626001 -14.1288942 ] [ 9.4570363 10.3739404 13.8473017 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.386547948512703e-08 -2.818027234320667e-08 1.988780253244186e-08 ] [ -8.128407229208453e-08 -1.412789455587336e-07 -1.345610455838511e-07 ] [ 5.026852187059807e-08 1.66737670331088e-07 1.168917786204077e-07 ] [ 1.363763110543469e-08 -3.274510008364006e-08 -1.767374648905757e-09 ] [ -2.16394026309922e-08 1.884576288003974e-08 -2.263698396499672e-08 ] [ 1.515184246191694e-08 1.66208847744526e-08 2.21858230449041e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 30.896215 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.950119334421028e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5717362 0.2119481 2.5430846 ] [ 0.0259252 1.3749757 1.2811176 ] [ 0.6476753 2.8513003 2.9520504 ] [ 2.8174254 0.1143514 0.4198024 ] [ 1.8748376 2.2115077 0.0386239 ] [ 2.7161945 3.1781303 1.9744429 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5717362e-10 2.119481e-11 2.5430846e-10 ] [ 2.59252e-12 1.3749757e-10 1.2811176e-10 ] [ 6.476753e-11 2.8513003e-10 2.9520504e-10 ] [ 2.8174254e-10 1.143514e-11 4.198024e-11 ] [ 1.8748376e-10 2.2115077e-10 3.86239e-12 ] [ 2.7161945e-10 3.1781303e-10 1.9744429e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.5967214 -0.2603503 -0.8117077 ] [ -0.2410685 0.5288014 -0.3605287 ] [ -0.0208716 -0.1368158 0.3116133 ] [ -0.1169436 -0.1423589 0.934522 ] [ -0.3809729 -0.3020483 -0.067089 ] [ 0.1631352 0.312772 -0.0068098 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.560530762110451e-10 -4.171271638782662e-10 -1.30049909986334e-09 ] [ -3.862343147113248e-10 8.472332401263091e-10 -5.776306542674169e-10 ] [ -3.343998955868929e-11 -2.192030761160486e-10 4.992595439903367e-10 ] [ -1.873643018721869e-10 -2.280841013428051e-10 1.497269300023258e-09 ] [ -6.103858735383763e-10 -4.839347246123847e-10 -1.074884273128512e-10 ] [ 2.613714034695322e-10 5.011159860408576e-10 -1.091050235232384e-11 ] ] } "relaxed-potential-energy" { "source-value" -17.136728 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.745606495860875e-18 } }