{ "property-id" "tag:brunnels@noreply.openkim.org,2016-02-18:property/grain-boundary-symmetric-tilt-energy-relaxed-relation-cubic-crystal" "instance-id" 1 "a" { "source-value" 3.150153368711472 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.150153368711472e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.72633573147776 2.47883060317399 2.48902898731061 2.47057037106725 2.54485554988656 2.53076695146589 2.50079104542987 2.50492637396511 2.47038344351661 2.43046543232393 2.55647231186224 2.42939914420507 2.43208148259007 2.4494344874941 2.45594618684348 2.45609297297485 2.46365450561752 2.45397877566223 2.45534892382009 2.46375743580394 2.46955719074728 2.47170298292702 2.6793152762448 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.72633573147776e-10 2.4788306031739903e-10 2.48902898731061e-10 2.4705703710672505e-10 2.54485554988656e-10 2.53076695146589e-10 2.5007910454298703e-10 2.50492637396511e-10 2.4703834435166103e-10 2.43046543232393e-10 2.55647231186224e-10 2.42939914420507e-10 2.4320814825900697e-10 2.4494344874941e-10 2.45594618684348e-10 2.45609297297485e-10 2.46365450561752e-10 2.4539787756622305e-10 2.45534892382009e-10 2.46375743580394e-10 2.46955719074728e-10 2.47170298292702e-10 2.6793152762448e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.017344726440416607 1.4638125606986911 1.5041455235688717 1.6211350593274292 1.6103602033949058 1.7830098774489667 1.8227091171187808 1.7756336727134405 1.9325044809524352 1.9299275942422023 1.929479204486431 1.7525126748327802 1.9392292790055898 1.922304669732944 1.9334916950115082 1.8552882151070367 1.7358306184592667 1.6294913802210054 1.4613335226501039 1.3321527236540185 1.228375125486637 1.1215100609570856 0.019624536588898994 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.017344726440416607 1.4638125606986911 1.5041455235688717 1.6211350593274292 1.6103602033949058 1.7830098774489667 1.8227091171187808 1.7756336727134405 1.9325044809524352 1.9299275942422023 1.929479204486431 1.7525126748327802 1.9392292790055898 1.922304669732944 1.9334916950115082 1.8552882151070367 1.7358306184592667 1.6294913802210054 1.4613335226501039 1.3321527236540185 1.228375125486637 1.1215100609570856 0.019624536588898994 ] } "short-name" { "source-value" [ "bcc" ] } "sigma" { "source-value" [ 1 1 25 9 25 17 53 9 73 7 29 5 1 17 89 13 37 25 41 15 85 113 1 ] } "species" { "source-value" [ "Mo" "Mo" "Mo" "Mo" ] } "tilt-angle" { "source-value" [ 0.0 14.250032697803595 16.26020470831196 18.924644416051233 22.619864948040426 28.072486935852957 31.890791801845708 36.86989764584402 41.112090439166934 43.60281897270362 46.39718102729638 53.13010235415598 59.48976259388444 61.92751306414704 64.01076641616699 67.38013505195957 71.07535558394876 73.73979529168804 77.31961650818018 79.61114218453038 81.20258929000894 82.3718503314193 90.0 ] "source-unit" "degrees" "si-unit" "radian" "si-value" [ 0.0 0.24870998909352293 0.2837941092083279 0.3302973548292537 0.3947911196997616 0.4899573262537284 0.5565993180102228 0.6435011087932845 0.7175413405411447 0.7610127542247299 0.809783572570167 0.9272952180016124 1.038292228493046 1.0808390005411685 1.117198630687125 1.1760052070951352 1.2404989719656432 1.287002217586569 1.3494818844471055 1.3894765523934065 1.417252544255341 1.4376599992432493 1.570796326794897 ] } "tilt-axis" { "source-value" [ 0 0 1 ] } }